(2S)-2-methylsulfanyl-6-oxidanylidene-4-phenyl-2-piperidin-1-yl-1,5-dihydropyrimidine-5-carbonitrile

Systemtic Name: (2S)-2-methylsulfanyl-6-oxidanylidene-4-phenyl-2-piperidin-1-yl-1,5-dihydropyrimidine-5-carbonitrile Openeye Name: (2S)-2-methylsulfanyl-6-oxo-4-phenyl-2-(1-piperidyl)-1,5-dihydropyrimidine-5-carbonitrile CAS Name: (2S)-2-(methylthio)-6-oxo-4-phenyl-2-(1-piperidinyl)-1,5-dihydropyrimidine-5-carbonitrile IUPAC Name: (2S)-2-methylsulfanyl-6-oxo-4-phenyl-2-piperidin-1-yl-1,5-dihydropyrimidine-5-carbonitrile Traditional Name: (2S)-6-keto-2-(methylthio)-4-phenyl-2-piperidino-1,5-dihydropyrimidine-5-carbonitrile Formula: C17H20N4OS MolecularWeight: 328.4319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1(NC(=O)C(C(=N1)C2=CC=CC=C2)C#N)N3CCCCC3

Isomeric SMILES

CS[C@@]1(NC(=O)C(C(=N1)C2=CC=CC=C2)C#N)N3CCCCC3

InChI

InChI=1S/C17H20N4OS/c1-23-17(21-10-6-3-7-11-21)19-15(13-8-4-2-5-9-13)14(12-18)16(22)20-17/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,20,22)/t14?,17-/m0/s1