methyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(1-methyl-5-tetrazolyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(1-methyltetrazol-5-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C13H12N6O3S MolecularWeight: 332.33778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=NN=N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C13H12N6O3S/c1-19-13(16-17-18-19)23-6-10-14-9-5-7(12(21)22-2)3-4-8(9)11(20)15-10/h3-5H,6H2,1-2H3,(H,14,15,20)