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

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetamide CAS Name: 2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-N-prop-2-enylacetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O2S/c1-2-8-17-14(20)9-13-10-15(21)19-16(18-13)22-11-12-6-4-3-5-7-12/h2-7,10H,1,8-9,11H2,(H,17,20)(H,18,19,21)