3-[(2-azanyl-4-chloranyl-phenyl)-methyl-amino]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(2-azanyl-4-chloranyl-phenyl)-methyl-amino]pyrazine-2-carboxylic acid Openeye Name: 3-(2-amino-4-chloro-N-methyl-anilino)pyrazine-2-carboxylic acid CAS Name: 3-(2-amino-4-chloro-N-methylanilino)-2-pyrazinecarboxylic acid IUPAC Name: 3-(2-amino-4-chloro-N-methylanilino)pyrazine-2-carboxylic acid Traditional Name: 3-(2-amino-4-chloro-N-methyl-anilino)pyrazinoic acid Formula: C12H11ClN4O2 MolecularWeight: 278.69434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)Cl)N)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CN(C1=C(C=C(C=C1)Cl)N)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C12H11ClN4O2/c1-17(9-3-2-7(13)6-8(9)14)11-10(12(18)19)15-4-5-16-11/h2-6H,14H2,1H3,(H,18,19)