ethyl 2-[(4-oxidanylidene-1H-pyrimido[5,4-c]cinnolin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-oxidanylidene-1H-pyrimido[5,4-c]cinnolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-oxo-1H-pyrimido[5,4-c]cinnolin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-1H-pyrimido[5,4-c]cinnolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-1H-pyrimido[5,4-c]cinnolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-1H-pyrimido[5,4-c]cinnolin-2-yl)thio]acetic acid ethyl ester Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H12N4O3S/c1-2-21-10(19)7-22-14-15-11-8-5-3-4-6-9(8)17-18-12(11)13(20)16-14/h3-6H,2,7H2,1H3,(H,15,16,20)