ethyl 2-[(9-methyl-4-oxidanylidene-1H-pyrimido[5,4-c]cinnolin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(9-methyl-4-oxidanylidene-1H-pyrimido[5,4-c]cinnolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(9-methyl-4-oxo-1H-pyrimido[5,4-c]cinnolin-2-yl)sulfanyl]acetate CAS Name: 2-[(9-methyl-4-oxo-1H-pyrimido[5,4-c]cinnolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(9-methyl-4-oxo-1H-pyrimido[5,4-c]cinnolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-9-methyl-1H-pyrimido[5,4-c]cinnolin-2-yl)thio]acetic acid ethyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O3S/c1-3-22-11(20)7-23-15-16-12-9-6-8(2)4-5-10(9)18-19-13(12)14(21)17-15/h4-6H,3,7H2,1-2H3,(H,16,17,21)