[1-(diethylamino)-3-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [1-(diethylamino)-3-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [1-(diethylaminomethyl)-2-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [1-(diethylamino)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl] ester IUPAC Name: [1-(diethylamino)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1-(diethylaminomethyl)-2-(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)ethyl] ester Formula: C27H35N3O8S MolecularWeight: 561.6471

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CN1C(=O)C2=CC(=C(C=C2NC1=S)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCN(CC)CC(CN1C(=O)C2=CC(=C(C=C2NC1=S)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C27H35N3O8S/c1-8-29(9-2)14-17(38-26(32)16-10-22(35-5)24(37-7)23(11-16)36-6)15-30-25(31)18-12-20(33-3)21(34-4)13-19(18)28-27(30)39/h10-13,17H,8-9,14-15H2,1-7H3,(H,28,39)