2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-piperidinophenyl)propionamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H25N5O2S/c1-17(23(31)27-19-10-12-20(13-11-19)30-14-6-3-7-15-30)33-25-28-22(18-8-4-2-5-9-18)21(16-26)24(32)29-25/h2,4-5,8-13,17H,3,6-7,14-15H2,1H3,(H,27,31)(H,28,29,32)