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

Systemtic Name: 2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)-N-phenethyl-acetamide CAS Name: 2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]-N-phenethylacetamide IUPAC Name: 2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)-N-phenethylacetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]-N-phenethyl-acetamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2S/c31-25(28-17-16-21-10-4-1-5-11-21)19-30-26(32)18-24(23-14-8-3-9-15-23)29-27(30)33-20-22-12-6-2-7-13-22/h1-15,18H,16-17,19-20H2,(H,28,31)