[6-(6-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidanidyl-piperazin-4-ium-1-carboxylate

Systemtic Name: [6-(6-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidanidyl-piperazin-4-ium-1-carboxylate Openeye Name: [6-(6-chloro-2-pyridyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxido-piperazin-4-ium-1-carboxylate CAS Name: 4-methyl-4-oxido-1-piperazin-4-iumcarboxylic acid [6-(6-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester IUPAC Name: [6-(6-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate Traditional Name: 4-methyl-4-oxido-piperazin-4-ium-1-carboxylic acid [6-(6-chloro-2-pyridyl)-5-keto-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC(=CC=C4)Cl)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC(=CC=C4)Cl)[O-]

InChI

InChI=1S/C17H17ClN6O4/c1-24(27)9-7-22(8-10-24)17(26)28-16-14-13(19-5-6-20-14)15(25)23(16)12-4-2-3-11(18)21-12/h2-6,16H,7-10H2,1H3