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

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(3-phenylpropyl)acetamide CAS Name: 2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(3-phenylpropyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c26-20(23-13-7-12-17-8-3-1-4-9-17)14-19-15-21(27)25-22(24-19)28-16-18-10-5-2-6-11-18/h1-6,8-11,15H,7,12-14,16H2,(H,23,26)(H,24,25,27)