3,5-bis(azanyl)-N-[2-(1-azanylpentan-3-ylamino)ethyl]-6-chloranyl-pyrazine-2-carboxamide

Systemtic Name: 3,5-bis(azanyl)-N-[2-(1-azanylpentan-3-ylamino)ethyl]-6-chloranyl-pyrazine-2-carboxamide Openeye Name: 3,5-diamino-N-[2-[(3-amino-1-ethyl-propyl)amino]ethyl]-6-chloro-pyrazine-2-carboxamide CAS Name: 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloro-2-pyrazinecarboxamide IUPAC Name: 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide Traditional Name: 3,5-diamino-N-[2-[(3-amino-1-ethyl-propyl)amino]ethyl]-6-chloro-pyrazinamide Formula: C12H22ClN7O MolecularWeight: 315.80238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN)NCCNC(=O)C1=C(N=C(C(=N1)Cl)N)N

Isomeric SMILES

CCC(CCN)NCCNC(=O)C1=C(N=C(C(=N1)Cl)N)N

InChI

InChI=1S/C12H22ClN7O/c1-2-7(3-4-14)17-5-6-18-12(21)8-10(15)20-11(16)9(13)19-8/h7,17H,2-6,14H2,1H3,(H,18,21)(H4,15,16,20)