2-[(4-methylphenyl)amino]-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-methylphenyl)amino]-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-methylanilino)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(4-methylanilino)-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-methylanilino)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 6-[[(1-phenyltetrazol-5-yl)thio]methyl]-2-(p-toluidino)-1H-pyrimidin-4-one Formula: C19H17N7OS MolecularWeight: 391.44958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H17N7OS/c1-13-7-9-14(10-8-13)20-18-21-15(11-17(27)22-18)12-28-19-23-24-25-26(19)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H2,20,21,22,27)