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

Systemtic Name: 2-[(4-ethoxyphenyl)amino]-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-ethoxyanilino)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(4-ethoxyanilino)-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-ethoxyanilino)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 6-[[(1-phenyltetrazol-5-yl)thio]methyl]-2-(p-phenetidino)-1H-pyrimidin-4-one Formula: C20H19N7O2S MolecularWeight: 421.47556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H19N7O2S/c1-2-29-17-10-8-14(9-11-17)21-19-22-15(12-18(28)23-19)13-30-20-24-25-26-27(20)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H2,21,22,23,28)