Chem
J-GLOBAL ID：201707008011267819
Nikkaji number：J3.563.204B
GS-9901
6-[[(S)-[3,4-ジヒドロ-3-(3-ピリジニル)-4-オキソ-5-クロロ-8-フルオロキナゾリン-2-イル](シクロプロピル)メチル]アミノ]-2,4-ジアミノピリミジン-5-カルボニトリル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C22H17ClFN9O
Molecular formula furigana： C22-H17-CL-F-N9-O
Molecular weight： 477.890
InChI：
InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1
InChI key：
XDSXYMOZKDUASY-INIZCTEOSA-N
SMILES：
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2c2cccnc2)n1
Systematic name (3)：
- 6-[[(S)-[3,4-ジヒドロ-3-(3-ピリジニル)-4-オキソ-5-クロロ-8-フルオロキナゾリン-2-イル](シクロプロピル)メチル]アミノ]-2,4-ジアミノピリミジン-5-カルボニトリル
- 2,4-ジアミノ-6-{[(S)-[5-クロロ-8-フルオロ-4-オキソ-3-(ピリジン-3-イル)-3,4-ジヒドロキナゾリン-2-イル](シクロプロピル)メチル]アミノ}ピリミジン-5-カルボニトリル
- 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile
- 6-[[(S)-[3,4-Dihydro-3-(3-pyridinyl)-4-oxo-5-chloro-8-fluoroquinazoline-2-yl](cyclopropyl)methyl]amino]-2,4-diaminopyrimidine-5-carbonitrile
- GS-9901
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