N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetamide Traditional Name: N-homoveratryl-2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetamide Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C30H31N3O4S/c1-36-26-14-13-23(19-27(26)37-2)15-17-31-28(34)21-33-29(35)20-25(24-11-7-4-8-12-24)32-30(33)38-18-16-22-9-5-3-6-10-22/h3-14,19-20H,15-18,21H2,1-2H3,(H,31,34)