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

Systemtic Name: 4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H16N4O2S/c18-10-13-15(12-6-2-1-3-7-12)19-17(20-16(13)23)24-11-14(22)21-8-4-5-9-21/h1-3,6-7H,4-5,8-9,11H2,(H,19,20,23)