Chem
J-GLOBAL ID:201507005835355771
Nikkaji number:J3.389.872J
JNKIN-8
3-[4-(ジメチルアミノ)ブタ-2-エンアミド]-N-(3-メチル-4-{[4-(ピリジン-3-イル)ピリミジン-2-イル]アミノ}フェニル)ベンズアミド
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Substance type:
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
Molecular formula:
C29 H29 N7 O2
Molecular formula furigana:
C29-H29-N7-O2
Molecular weight:
507.598
InChI:
InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)
InChI key:
GJFCSAPFHAXMSF-UHFFFAOYSA-N
SMILES:
CN(C)CC=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)c2cccnc2)c(C)c1
Systematic name (3):
N-[3-[[3-メチル-4-[[4-(3-ピリジル)-2-ピリミジニル]アミノ]フェニル]カルバモイル]フェニル]-4-(ジメチルアミノ)-2-ブテンアミド
3-[4-(ジメチルアミノ)ブタ-2-エンアミド]-N-(3-メチル-4-{[4-(ピリジン-3-イル)ピリミジン-2-イル]アミノ}フェニル)ベンズアミド
3-[4-(dimethylamino)but-2-enamido]-N-(3-methyl-4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Other name (2):
N-[3-[[3-Methyl-4-[[4-(3-pyridyl)-2-pyrimidinyl]amino]phenyl]carbamoyl]phenyl]-4-(dimethylamino)-2-buteneamide
JNKIN-8
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