3,6-bis(azanyl)-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3,6-bis(azanyl)-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid CAS Name: 3,6-diamino-5-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3,6-diamino-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid Traditional Name: 5-[(4-amidinobenzyl)carbamoyl]-3,6-diamino-pyrazinoic acid Formula: C14H15N7O3 MolecularWeight: 329.314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=C(N=C(C(=N2)N)C(=O)O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=C(N=C(C(=N2)N)C(=O)O)N)C(=N)N

InChI

InChI=1S/C14H15N7O3/c15-10(16)7-3-1-6(2-4-7)5-19-13(22)8-11(17)21-9(14(23)24)12(18)20-8/h1-4H,5H2,(H3,15,16)(H2,17,21)(H2,18,20)(H,19,22)(H,23,24)