N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-3-yl]propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-3-yl]propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-3-yl]propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-quinazolinyl]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-3-yl]propanamide Traditional Name: N-homoveratryl-3-[4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]quinazolin-3-yl]propionamide Formula: C27H32N4O5S MolecularWeight: 524.63178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4)OC

InChI

InChI=1S/C27H32N4O5S/c1-35-22-10-9-19(17-23(22)36-2)11-13-28-24(32)12-16-31-26(34)20-7-3-4-8-21(20)29-27(31)37-18-25(33)30-14-5-6-15-30/h3-4,7-10,17H,5-6,11-16,18H2,1-2H3,(H,28,32)