3,5-bis(azanyl)-6-chloranyl-N-[N'-(11-oxidanylidene-11-piperazin-1-yl-undecyl)carbamimidoyl]pyrazine-2-carboxamide

Systemtic Name: 3,5-bis(azanyl)-6-chloranyl-N-[N'-(11-oxidanylidene-11-piperazin-1-yl-undecyl)carbamimidoyl]pyrazine-2-carboxamide Openeye Name: 3,5-diamino-6-chloro-N-[N'-(11-oxo-11-piperazin-1-yl-undecyl)carbamimidoyl]pyrazine-2-carboxamide CAS Name: 3,5-diamino-N-[amino-[11-oxo-11-(1-piperazinyl)undecyl]iminomethyl]-6-chloro-2-pyrazinecarboxamide IUPAC Name: 3,5-diamino-6-chloro-N-[N'-(11-oxo-11-piperazin-1-ylundecyl)carbamimidoyl]pyrazine-2-carboxamide Traditional Name: 3,5-diamino-6-chloro-N-[N'-(11-keto-11-piperazino-undecyl)amidino]pyrazinamide Formula: C21H36ClN9O2 MolecularWeight: 482.02264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CCCCCCCCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

Isomeric SMILES

C1CN(CCN1)C(=O)CCCCCCCCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

InChI

InChI=1S/C21H36ClN9O2/c22-17-19(24)29-18(23)16(28-17)20(33)30-21(25)27-10-8-6-4-2-1-3-5-7-9-15(32)31-13-11-26-12-14-31/h26H,1-14H2,(H4,23,24,29)(H3,25,27,30,33)