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

Systemtic Name: 2-oxidanylidene-3-(phenylmethyl)-6-pyrrolidin-1-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 3-benzyl-2-oxo-6-pyrrolidin-1-yl-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-oxo-3-(phenylmethyl)-6-(1-pyrrolidinyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 3-benzyl-2-oxo-6-pyrrolidin-1-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 3-benzyl-2-keto-6-pyrrolidino-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=S)N(C(=O)N2)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C(=S)N(C(=O)N2)CC3=CC=CC=C3)C#N

InChI

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