[6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate benzoate

Systemtic Name: [6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate benzoate Openeye Name: [6-(5-chloro-2-pyridyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate benzoate CAS Name: 4-methyl-1-piperazinecarboxylic acid [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester benzoate IUPAC Name: [6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate benzoate Traditional Name: 4-methylpiperazine-1-carboxylic acid [6-(5-chloro-2-pyridyl)-5-keto-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester benzoate Formula: C24H22ClN6O5- MolecularWeight: 509.92168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C17H17ClN6O3.C7H6O2/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12;8-7(9)6-4-2-1-3-5-6/h2-5,10,16H,6-9H2,1H3;1-5H,(H,8,9)/p-1