N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-(3-pyridylmethylsulfanyl)quinazolin-3-yl]propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-(3-pyridinylmethylthio)-3-quinazolinyl]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]propanamide Traditional Name: N-homoveratryl-3-[4-keto-2-(3-pyridylmethylthio)quinazolin-3-yl]propionamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4)OC

InChI

InChI=1S/C27H28N4O4S/c1-34-23-10-9-19(16-24(23)35-2)11-14-29-25(32)12-15-31-26(33)21-7-3-4-8-22(21)30-27(31)36-18-20-6-5-13-28-17-20/h3-10,13,16-17H,11-12,14-15,18H2,1-2H3,(H,29,32)