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

Systemtic Name: 6-methyl-2-[(4-methylphenyl)sulfanylmethyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine Openeye Name: 6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-(p-tolylsulfanylmethyl)pyrimidin-4-amine CAS Name: 6-methyl-2-[[(4-methylphenyl)thio]methyl]-N-(5-phenyl-1H-pyrazol-3-yl)-4-pyrimidinamine IUPAC Name: 6-methyl-2-[(4-methylphenyl)sulfanylmethyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: [6-methyl-2-[(p-tolylthio)methyl]pyrimidin-4-yl]-(5-phenyl-1H-pyrazol-3-yl)amine Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NC(=CC(=N2)NC3=NNC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NC(=CC(=N2)NC3=NNC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5S/c1-15-8-10-18(11-9-15)28-14-22-23-16(2)12-20(25-22)24-21-13-19(26-27-21)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H2,23,24,25,26,27)