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

Systemtic Name: 3-azanyl-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-amino-6-[(4-carbamimidoylphenyl)methylamino]-5-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid Traditional Name: 6-[(4-amidinobenzyl)amino]-5-[(4-amidinobenzyl)carbamoyl]-3-amino-pyrazinoic acid Formula: C22H23N9O3 MolecularWeight: 461.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(N=C(C(=N2)C(=O)O)N)C(=O)NCC3=CC=C(C=C3)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(N=C(C(=N2)C(=O)O)N)C(=O)NCC3=CC=C(C=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C22H23N9O3/c23-17(24)13-5-1-11(2-6-13)9-28-20-16(30-19(27)15(31-20)22(33)34)21(32)29-10-12-3-7-14(8-4-12)18(25)26/h1-8H,9-10H2,(H3,23,24)(H3,25,26)(H2,27,30)(H,28,31)(H,29,32)(H,33,34)