Chem
J-GLOBAL ID:201407022308979885
Nikkaji number:J3.276.253K
CYT-997
N-エチル-N′-[2-メトキシ-4-[5-メチル-4-[[(1S)-1-(3-ピリジニル)ブチル]アミノ]-2-ピリミジニル]フェニル]尿素
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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:
C24 H30 N6 O2
Molecular formula furigana:
C24-H30-N6-O2
Molecular weight:
434.544
InChI:
InChI=1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1
InChI key:
MTJHLONVHHPNSI-IBGZPJMESA-N
SMILES:
CCC[C@H](Nc1nc(ncc1C)c1ccc(NC(=O)NCC)c(OC)c1)c1cccnc1
Systematic name (3):
N-エチル-N′-[2-メトキシ-4-[5-メチル-4-[[(1S)-1-(3-ピリジニル)ブチル]アミノ]-2-ピリミジニル]フェニル]尿素
3-エチル-1-[2-メトキシ-4-(5-メチル-4-{[(1S)-1-(ピリジン-3-イル)ブチル]アミノ}ピリミジン-2-イル)フェニル]尿素
3-ethyl-1-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
Other name (2):
N-Ethyl-N′-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea
CYT-997
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