2-oxidanylidene-3-phenyl-6-piperidin-1-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-oxidanylidene-3-phenyl-6-piperidin-1-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-oxo-3-phenyl-6-(1-piperidyl)-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-oxo-3-phenyl-6-(1-piperidinyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-oxo-3-phenyl-6-piperidin-1-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 2-keto-3-phenyl-6-piperidino-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=S)N(C(=O)N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C(=S)N(C(=O)N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C16H16N4OS/c17-11-13-14(19-9-5-2-6-10-19)18-16(21)20(15(13)22)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,21)