Chem
J-GLOBAL ID:201407068570650924
Nikkaji number:J3.304.186A
AP-26113
AP-26113
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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:
C26 H34 ClN6 O2 P
Molecular formula furigana:
C26-H34-CL-N6-O2-P
Molecular weight:
529.020
InChI:
InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)
InChI key:
OVDSPTSBIQCAIN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(=O)(C)C)n1)N1CCC(CC1)N(C)C
Systematic name (3):
1-[[5-クロロ-2-[[4-[4-(ジメチルアミノ)ピペリジン-1-イル]-2-メトキシフェニル]アミノ]ピリミジン-4-イル]アミノ]-2-(ジメチルホスフィニル)ベンゼン
5-クロロ-N2-{4-[4-(ジメチルアミノ)ピペリジン-1-イル]-2-メトキシフェニル}-N4-[2-(ジメチルホスホリル)フェニル]ピリミジン-2,4-ジアミン
5-chloro-N2-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N4-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine
Other name (2):
1-[[5-Chloro-2-[[4-[4-(dimethylamino)piperidine-1-yl]-2-methoxyphenyl]amino]pyrimidine-4-yl]amino]-2-(dimethylphosphinyl)benzene
AP-26113
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