2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(phenylmethyl)ethanamide

Systemtic Name: 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(phenylmethyl)ethanamide Openeye Name: N,N-dibenzyl-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-N,N-bis(phenylmethyl)acetamide IUPAC Name: N,N-dibenzyl-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N,N-dibenzyl-2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N4O2S/c1-2-20-19(13-24)22(29)26-23(25-20)30-16-21(28)27(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12H,2,14-16H2,1H3,(H,25,26,29)