6,7-dimethoxy-3-(3-sulfanylpropyl)-1H-quinazoline-2,4-dione

Systemtic Name: 6,7-dimethoxy-3-(3-sulfanylpropyl)-1H-quinazoline-2,4-dione Openeye Name: 6,7-dimethoxy-3-(3-sulfanylpropyl)-1H-quinazoline-2,4-dione CAS Name: 3-(3-mercaptopropyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione IUPAC Name: 6,7-dimethoxy-3-(3-sulfanylpropyl)-1H-quinazoline-2,4-dione Traditional Name: 3-(3-mercaptopropyl)-6,7-dimethoxy-1H-quinazoline-2,4-quinone Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCS)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCS)OC

InChI

InChI=1S/C13H16N2O4S/c1-18-10-6-8-9(7-11(10)19-2)14-13(17)15(12(8)16)4-3-5-20/h6-7,20H,3-5H2,1-2H3,(H,14,17)