4-methyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-methyl-6-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-methyl-6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[(2-keto-2-piperidino-ethyl)thio]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)N3CCCCC3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)N3CCCCC3)C#N

InChI

InChI=1S/C19H20N4OS/c1-14-16(12-20)19(22-18(21-14)15-8-4-2-5-9-15)25-13-17(24)23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-11,13H2,1H3