6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylmethylsulfanyl)pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylmethylsulfanyl)pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylmethylthio)-4-pyrimidinamine IUPAC Name: 2-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: [2-(benzylthio)-6-(4-methylpiperazino)pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C20H25N7S MolecularWeight: 395.5244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7S/c1-15-12-18(25-24-15)21-17-13-19(27-10-8-26(2)9-11-27)23-20(22-17)28-14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H2,21,22,23,24,25)