2-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H21N4O3S- MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)[O-]

InChI

InChI=1S/C19H22N4O3S/c1-4-7-12-10-15(24)22-18(20-12)27-11-16(25)23-14-9-6-5-8-13(14)21-17(26)19(23,2)3/h5-6,8-10H,4,7,11H2,1-3H3,(H,21,26)(H,20,22,24)/p-1