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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[oxo(1-pyrrolidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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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)N4CCCC4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)NC2=S)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-17-8-6-14(12-18(17)28-2)24-20(26)15-7-5-13(11-16(15)22-21(24)29)19(25)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,29)