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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-[oxo(1-pyrrolidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-homoveratryl-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)NC2=S)OC

InChI

InChI=1S/C23H25N3O4S/c1-29-19-8-5-15(13-20(19)30-2)9-12-26-22(28)17-7-6-16(14-18(17)24-23(26)31)21(27)25-10-3-4-11-25/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,31)