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

Systemtic Name: 6,7-dimethoxy-3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione Openeye Name: 6,7-dimethoxy-3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione CAS Name: 3-(2-mercaptoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione IUPAC Name: 6,7-dimethoxy-3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione Traditional Name: 3-(2-mercaptoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-quinone Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c1-17-9-5-7-8(6-10(9)18-2)13-12(16)14(3-4-19)11(7)15/h5-6,19H,3-4H2,1-2H3,(H,13,16)