3-azanyl-6-chloranyl-N-[(Z)-N'-imidazol-1-ylcarbonylcarbamimidoyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-6-chloranyl-N-[(Z)-N'-imidazol-1-ylcarbonylcarbamimidoyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide Openeye Name: 3-amino-6-chloro-N-[(Z)-N'-(imidazole-1-carbonyl)carbamimidoyl]-5-(isopropylamino)pyrazine-2-carboxamide CAS Name: 3-amino-N-[(Z)-amino-[1-imidazolyl(oxo)methyl]iminomethyl]-6-chloro-5-(propan-2-ylamino)-2-pyrazinecarboxamide IUPAC Name: 3-amino-6-chloro-N-[(Z)-N'-(imidazole-1-carbonyl)carbamimidoyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide Traditional Name: 3-amino-6-chloro-N-[(Z)-N'-(imidazole-1-carbonyl)amidino]-5-(isopropylamino)pyrazinamide Formula: C13H16ClN9O2 MolecularWeight: 365.77824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=C(N=C1Cl)C(=O)NC(=NC(=O)N2C=CN=C2)N)N

Isomeric SMILES

CC(C)NC1=NC(=C(N=C1Cl)C(=O)N/C(=N\C(=O)N2C=CN=C2)/N)N

InChI

InChI=1S/C13H16ClN9O2/c1-6(2)18-10-8(14)19-7(9(15)20-10)11(24)21-12(16)22-13(25)23-4-3-17-5-23/h3-6H,1-2H3,(H3,15,18,20)(H3,16,21,22,24,25)