N-[4-[5-azanyl-4-(4-methylpiperazin-1-yl)carbonyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[5-azanyl-4-(4-methylpiperazin-1-yl)carbonyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[5-amino-4-(4-methylpiperazine-1-carbonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[5-amino-4-[(4-methyl-1-piperazinyl)-oxomethyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[5-amino-4-(4-methylpiperazine-1-carbonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[5-amino-4-(4-methylpiperazine-1-carbonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C24H29N9O2S MolecularWeight: 507.61116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C24H29N9O2S/c1-14-13-18(31-30-14)27-21-19(25)20(23(35)33-11-9-32(2)10-12-33)28-24(29-21)36-17-7-5-16(6-8-17)26-22(34)15-3-4-15/h5-8,13,15H,3-4,9-12,25H2,1-2H3,(H,26,34)(H2,27,28,29,30,31)