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

Systemtic Name: (2R)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-propanamide Openeye Name: (2R)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-propanamide CAS Name: (2R)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-cyclohexylpropanamide IUPAC Name: (2R)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide Traditional Name: (2R)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-cyclohexyl-propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H22N4O2S/c1-13(18(25)22-15-10-6-3-7-11-15)27-20-23-17(14-8-4-2-5-9-14)16(12-21)19(26)24-20/h2,4-5,8-9,13,15H,3,6-7,10-11H2,1H3,(H,22,25)(H,23,24,26)/t13-/m1/s1