6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-2-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-2-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-2-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[[4-(2-morpholinylsulfonyl)phenyl]methylthio]-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-2-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-2-[(4-morpholin-2-ylsulfonylbenzyl)thio]pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C24H32N8O3S2 MolecularWeight: 544.69268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SCC4=CC=C(C=C4)S(=O)(=O)C5CNCCO5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SCC4=CC=C(C=C4)S(=O)(=O)C5CNCCO5

InChI

InChI=1S/C24H32N8O3S2/c1-17-13-21(30-29-17)26-20-14-22(32-10-8-31(2)9-11-32)28-24(27-20)36-16-18-3-5-19(6-4-18)37(33,34)23-15-25-7-12-35-23/h3-6,13-14,23,25H,7-12,15-16H2,1-2H3,(H2,26,27,28,29,30)