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

Systemtic Name: 3,5-bis(azanyl)-6-bromanyl-N-[N'-(phenylmethyl)carbamimidoyl]pyrazine-2-carboxamide Openeye Name: 3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-bromo-pyrazine-2-carboxamide CAS Name: 3,5-diamino-N-[amino-(phenylmethyl)iminomethyl]-6-bromo-2-pyrazinecarboxamide IUPAC Name: 3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-bromopyrazine-2-carboxamide Traditional Name: 3,5-diamino-N-(N'-benzylamidino)-6-bromo-pyrazinamide Formula: C13H14BrN7O MolecularWeight: 364.20056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Br)N)N

Isomeric SMILES

C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Br)N)N

InChI

InChI=1S/C13H14BrN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)