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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(p-tolylmethylsulfanyl)pyrimidin-4-amine CAS Name: 2-[(4-methylphenyl)methylthio]-6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: [2-[(4-methylbenzyl)thio]-6-(4-methylpiperazino)pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H27N7S MolecularWeight: 409.55098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCN(CC4)C

InChI

InChI=1S/C21H27N7S/c1-15-4-6-17(7-5-15)14-29-21-23-18(22-19-12-16(2)25-26-19)13-20(24-21)28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,23,24,25,26)