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

Systemtic Name: 4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(2-keto-2-piperidino-ethyl)thio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H18N4O2S/c19-11-14-16(13-7-3-1-4-8-13)20-18(21-17(14)24)25-12-15(23)22-9-5-2-6-10-22/h1,3-4,7-8H,2,5-6,9-10,12H2,(H,20,21,24)