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

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-phenethyl-acetamide CAS Name: 2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-N-phenethylacetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-phenethylacetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-phenethyl-acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c25-19(22-12-11-16-7-3-1-4-8-16)13-18-14-20(26)24-21(23-18)27-15-17-9-5-2-6-10-17/h1-10,14H,11-13,15H2,(H,22,25)(H,23,24,26)