2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-[[(1-methyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C17H17N9O2S MolecularWeight: 411.44098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NN=NN4C

InChI

InChI=1S/C17H17N9O2S/c1-9-12-7-11(28-3)4-5-13(12)20-15(18-9)22-16-19-10(6-14(27)21-16)8-29-17-23-24-25-26(17)2/h4-7H,8H2,1-3H3,(H2,18,19,20,21,22,27)