6,7-dimethoxy-2-methylsulfanyl-1,9-dihydropyrimido[4,5-b]indol-4-one

Systemtic Name: 6,7-dimethoxy-2-methylsulfanyl-1,9-dihydropyrimido[4,5-b]indol-4-one Openeye Name: 6,7-dimethoxy-2-methylsulfanyl-1,9-dihydropyrimido[4,5-b]indol-4-one CAS Name: 6,7-dimethoxy-2-(methylthio)-1,9-dihydropyrimido[4,5-b]indol-4-one IUPAC Name: 6,7-dimethoxy-2-methylsulfanyl-1,9-dihydropyrimido[4,5-b]indol-4-one Traditional Name: 6,7-dimethoxy-2-(methylthio)-1,9-dihydropyrimid[4,5-b]indol-4-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)NC(=NC3=O)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)NC(=NC3=O)SC)OC

InChI

InChI=1S/C13H13N3O3S/c1-18-8-4-6-7(5-9(8)19-2)14-11-10(6)12(17)16-13(15-11)20-3/h4-5H,1-3H3,(H2,14,15,16,17)