ethyl 5-azanyl-3-methylsulfanyl-1-pyrimido[5,4-c]cinnolin-4-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-methylsulfanyl-1-pyrimido[5,4-c]cinnolin-4-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-pyrimido[5,4-c]cinnolin-4-yl-pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-(4-pyrimido[5,4-c]cinnolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfanyl-1-pyrimido[5,4-c]cinnolin-4-ylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-pyrimido[5,4-c]cinnolin-4-yl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H15N7O2S MolecularWeight: 381.4117

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2=NC=NC3=C2N=NC4=CC=CC=C43)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2=NC=NC3=C2N=NC4=CC=CC=C43)N

InChI

InChI=1S/C17H15N7O2S/c1-3-26-17(25)11-14(18)24(23-16(11)27-2)15-13-12(19-8-20-15)9-6-4-5-7-10(9)21-22-13/h4-8H,3,18H2,1-2H3