3-(3,4-dimethoxyphenyl)-7-morpholin-4-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-morpholin-4-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-(morpholine-4-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-(morpholine-4-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-(morpholine-4-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)NC2=S)OC

InChI

InChI=1S/C21H21N3O5S/c1-27-17-6-4-14(12-18(17)28-2)24-20(26)15-5-3-13(11-16(15)22-21(24)30)19(25)23-7-9-29-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,22,30)