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

Systemtic Name: 2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H17N4O3S- MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CC(=O)NC3=CC=CC=C32)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CC(=O)NC3=CC=CC=C32)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-2-5-11-8-14(22)20-17(18-11)25-10-16(24)21-9-15(23)19-12-6-3-4-7-13(12)21/h3-4,6-8H,2,5,9-10H2,1H3,(H,19,23)(H,18,20,22)/p-1