6,7-dimethoxy-2-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[mercapto(1H-1,2,4-triazol-5-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[mercapto(1H-1,2,4-triazol-5-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C(C3=NC=NN3)S)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C(C3=NC=NN3)S)OC

InChI

InChI=1S/C13H13N5O3S/c1-20-8-3-6-7(4-9(8)21-2)16-12(17-13(6)19)10(22)11-14-5-15-18-11/h3-5,10,22H,1-2H3,(H,14,15,18)(H,16,17,19)