N-(3,4-dimethoxyphenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(3,4-dimethoxyphenyl)acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-17-9-8-15(10-18(17)28-2)22-19(25)11-16-12-20(26)24-21(23-16)29-13-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H,22,25)(H,23,24,26)