2-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 3-benzyl-2-oxo-6-(1-piperidyl)-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 3-benzyl-2-oxo-6-piperidin-1-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 3-benzyl-2-keto-6-piperidino-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=S)N(C(=O)N2)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C(=S)N(C(=O)N2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H18N4OS/c18-11-14-15(20-9-5-2-6-10-20)19-17(22)21(16(14)23)12-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-10,12H2,(H,19,22)