6,7-dimethoxy-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[(1-methyl-5-tetrazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[(1-methyltetrazol-5-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H14N6O3S MolecularWeight: 334.35366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CN1C(=NN=N1)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C13H14N6O3S/c1-19-13(16-17-18-19)23-6-11-14-8-5-10(22-3)9(21-2)4-7(8)12(20)15-11/h4-5H,6H2,1-3H3,(H,14,15,20)