2-(2-Amino-4-pyridinyl)-N-[(S)-cyclopropylmethyloxido-λ4-sulfanylidene]-6-[(3...
C18H24N6O2S
2267316-76-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 30 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.0012 10.0102 0.0 0
M  V30 2 N 8.0023 7.7002 0.0 0
M  V30 3 S 9.3360 6.9302 0.0 0 CFG=2 VAL=6
M  V30 4 C 8.5660 5.5965 0.0 0
M  V30 5 O 10.1060 8.2638 0.0 0
M  V30 6 N 2.6673 0.0000 0.0 0
M  V30 7 C 4.0012 6.9302 0.0 0
M  V30 8 N 4.0012 5.3901 0.0 0
M  V30 9 C 5.3348 7.7002 0.0 0
M  V30 10 C 5.3348 4.6201 0.0 0
M  V30 11 C 6.6685 6.9302 0.0 0
M  V30 12 N 6.6685 5.3901 0.0 0
M  V30 13 N 2.6673 7.7002 0.0 0
M  V30 14 C 2.6673 9.2402 0.0 0 CFG=2
M  V30 15 C 1.3337 6.9302 0.0 0
M  V30 16 C 1.3337 10.0102 0.0 0
M  V30 17 C 0.0000 7.7002 0.0 0
M  V30 18 O 0.0000 9.2402 0.0 0
M  V30 19 C 5.3348 3.0801 0.0 0
M  V30 20 C 4.0012 2.3101 0.0 0
M  V30 21 C 6.6685 2.3101 0.0 0
M  V30 22 C 4.0012 0.7700 0.0 0
M  V30 23 C 6.6685 0.7700 0.0 0
M  V30 24 N 5.3348 0.0000 0.0 0
M  V30 25 C 10.6697 6.1601 0.0 0
M  V30 26 C 11.4397 4.8265 0.0 0
M  V30 27 C 12.2097 6.1601 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 14 1 CFG=1
M  V30 2 2 2 3
M  V30 3 1 2 11
M  V30 4 1 3 4 CFG=3
M  V30 5 2 3 5
M  V30 6 1 3 25 CFG=1
M  V30 7 1 6 22
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 7 13
M  V30 11 1 8 10
M  V30 12 2 9 11
M  V30 13 2 10 12
M  V30 14 1 10 19
M  V30 15 1 11 12
M  V30 16 1 13 14
M  V30 17 1 13 15
M  V30 18 1 14 16
M  V30 19 1 15 17
M  V30 20 1 16 18
M  V30 21 1 17 18
M  V30 22 1 19 20
M  V30 23 2 19 21
M  V30 24 2 20 22
M  V30 25 1 21 23
M  V30 26 1 22 24
M  V30 27 2 23 24
M  V30 28 1 25 26
M  V30 29 1 25 27
M  V30 30 1 26 27
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 3 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2267316-76-5

> <cas.index.name>
4-Pyrimidinamine, 2-(2-amino-4-pyridinyl)-N-[(S)-cyclopropylmethyloxido-λ4-sulfanylidene]-6-[(3R)-3-methyl-4-morpholinyl]-

> <molecular.formula>
C18H24N6O2S

> <molecular.weight>
388.49

> <boiling.point.predicted>
578.6±60.0 °C    Press: 760 Torr

> <density.predicted>
1.48±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
3.76±0.14    Most Basic Temp: 25 °C

$$$$
