3,5-bis(azanyl)-N-[N'-(3-benzamidopropyl)carbamimidoyl]-6-chloranyl-pyrazine-2-carboxamide

Systemtic Name: 3,5-bis(azanyl)-N-[N'-(3-benzamidopropyl)carbamimidoyl]-6-chloranyl-pyrazine-2-carboxamide Openeye Name: 3,5-diamino-N-[N'-(3-benzamidopropyl)carbamimidoyl]-6-chloro-pyrazine-2-carboxamide CAS Name: 3,5-diamino-N-[amino(3-benzamidopropylimino)methyl]-6-chloro-2-pyrazinecarboxamide IUPAC Name: 3,5-diamino-N-[N'-(3-benzamidopropyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide Traditional Name: 3,5-diamino-N-[N'-(3-benzamidopropyl)amidino]-6-chloro-pyrazinamide Formula: C16H19ClN8O2 MolecularWeight: 390.82746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

InChI

InChI=1S/C16H19ClN8O2/c17-11-13(19)24-12(18)10(23-11)15(27)25-16(20)22-8-4-7-21-14(26)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,21,26)(H4,18,19,24)(H3,20,22,25,27)