4-azanyl-2-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=C(C(=N3)N)C#N)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=C(C(=N3)N)C#N)C

InChI

InChI=1S/C17H16N6O2S/c1-17(2)15(25)21-11-5-3-4-6-12(11)23(17)13(24)9-26-16-20-8-10(7-18)14(19)22-16/h3-6,8H,9H2,1-2H3,(H,21,25)(H2,19,20,22)