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

Systemtic Name: [1-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-morpholin-4-yl-propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [1-[(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-2-morpholino-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [1-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-(4-morpholinyl)propan-2-yl] ester IUPAC Name: [1-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1-[(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)methyl]-2-morpholino-ethyl] ester Formula: C27H33N3O9S MolecularWeight: 575.63062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CN2CCOCC2)CN3C(=O)C4=CC(=C(C=C4NC3=S)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CN2CCOCC2)CN3C(=O)C4=CC(=C(C=C4NC3=S)OC)OC

InChI

InChI=1S/C27H33N3O9S/c1-33-20-12-18-19(13-21(20)34-2)28-27(40)30(25(18)31)15-17(14-29-6-8-38-9-7-29)39-26(32)16-10-22(35-3)24(37-5)23(11-16)36-4/h10-13,17H,6-9,14-15H2,1-5H3,(H,28,40)