3,5-bis(azanyl)-6-chloranyl-N-[N'-[4-(4-methyl-2-oxidanyl-phenyl)butyl]carbamimidoyl]pyrazine-2-carboxamide

Systemtic Name: 3,5-bis(azanyl)-6-chloranyl-N-[N'-[4-(4-methyl-2-oxidanyl-phenyl)butyl]carbamimidoyl]pyrazine-2-carboxamide Openeye Name: 3,5-diamino-6-chloro-N-[N'-[4-(2-hydroxy-4-methyl-phenyl)butyl]carbamimidoyl]pyrazine-2-carboxamide CAS Name: 3,5-diamino-N-[amino-[4-(2-hydroxy-4-methylphenyl)butylimino]methyl]-6-chloro-2-pyrazinecarboxamide IUPAC Name: 3,5-diamino-6-chloro-N-[N'-[4-(2-hydroxy-4-methylphenyl)butyl]carbamimidoyl]pyrazine-2-carboxamide Traditional Name: 3,5-diamino-6-chloro-N-[N'-[4-(2-hydroxy-4-methyl-phenyl)butyl]amidino]pyrazinamide Formula: C17H22ClN7O2 MolecularWeight: 391.85528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)O

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)O

InChI

InChI=1S/C17H22ClN7O2/c1-9-5-6-10(11(26)8-9)4-2-3-7-22-17(21)25-16(27)12-14(19)24-15(20)13(18)23-12/h5-6,8,26H,2-4,7H2,1H3,(H4,19,20,24)(H3,21,22,25,27)