2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N,N-dicyclohexyl-acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H30N4O2S/c26-16-21-23(18-10-4-1-5-11-18)27-25(28-24(21)31)32-17-22(30)29(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-15,17H2,(H,27,28,31)