4-azanyl-2-[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(2-keto-3,4-dihydro-1H-quinolin-6-yl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H13N5O2S/c17-6-11-7-19-16(21-15(11)18)24-8-13(22)10-1-3-12-9(5-10)2-4-14(23)20-12/h1,3,5,7H,2,4,8H2,(H,20,23)(H2,18,19,21)