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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/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/h2,5-7,9-10,14H,1,3-4,8,11-13,15H2,(H,22,25)(H,23,24,26)