5-[8-(4-carbamimidoylphenyl)-9-cyclohexyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoic acid dihydrobromide

Systemtic Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclohexyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoic acid dihydrobromide Openeye Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclohexyl-3-methyl-2,6-dioxo-purin-1-yl]pentanoic acid dihydrobromide CAS Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclohexyl-3-methyl-2,6-dioxo-1-purinyl]pentanoic acid dihydrobromide IUPAC Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclohexyl-3-methyl-2,6-dioxopurin-1-yl]pentanoic acid dihydrobromide Traditional Name: 5-[8-(4-amidinophenyl)-9-cyclohexyl-2,6-diketo-3-methyl-purin-1-yl]valeric acid dihydrobromide Formula: C24H32Br2N6O4 MolecularWeight: 628.35668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCC(=O)O)N=C(N2C3CCCCC3)C4=CC=C(C=C4)C(=N)N.Br.Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCC(=O)O)N=C(N2C3CCCCC3)C4=CC=C(C=C4)C(=N)N.Br.Br

InChI

InChI=1S/C24H30N6O4.2BrH/c1-28-22-19(23(33)29(24(28)34)14-6-5-9-18(31)32)27-21(30(22)17-7-3-2-4-8-17)16-12-10-15(11-13-16)20(25)26;;/h10-13,17H,2-9,14H2,1H3,(H3,25,26)(H,31,32);2*1H