N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-28-19-9-7-16(8-10-19)11-12-23-20(26)13-18-14-21(27)25-22(24-18)29-15-17-5-3-2-4-6-17/h2-10,14H,11-13,15H2,1H3,(H,23,26)(H,24,25,27)