methyl 3-[2,3-bis(oxidanyl)propylamino]-6-chloranyl-pyrazine-2-carboxylate

Systemtic Name: methyl 3-[2,3-bis(oxidanyl)propylamino]-6-chloranyl-pyrazine-2-carboxylate Openeye Name: methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate CAS Name: 6-chloro-3-(2,3-dihydroxypropylamino)-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate Traditional Name: 6-chloro-3-(glycerylamino)pyrazinic acid methyl ester Formula: C9H12ClN3O4 MolecularWeight: 261.66228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=CN=C1NCC(CO)O)Cl

Isomeric SMILES

COC(=O)C1=NC(=CN=C1NCC(CO)O)Cl

InChI

InChI=1S/C9H12ClN3O4/c1-17-9(16)7-8(11-2-5(15)4-14)12-3-6(10)13-7/h3,5,14-15H,2,4H2,1H3,(H,11,12)