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

Systemtic Name: 5-[8-(4-carbamimidoylphenyl)-2,6-bis(oxidanylidene)-9-propan-2-yl-3H-purin-1-yl]pentanoic acid dihydrobromide Openeye Name: 5-[8-(4-carbamimidoylphenyl)-9-isopropyl-2,6-dioxo-3H-purin-1-yl]pentanoic acid dihydrobromide CAS Name: 5-[8-(4-carbamimidoylphenyl)-2,6-dioxo-9-propan-2-yl-3H-purin-1-yl]pentanoic acid dihydrobromide IUPAC Name: 5-[8-(4-carbamimidoylphenyl)-2,6-dioxo-9-propan-2-yl-3H-purin-1-yl]pentanoic acid dihydrobromide Traditional Name: 5-[8-(4-amidinophenyl)-9-isopropyl-2,6-diketo-3H-purin-1-yl]valeric acid dihydrobromide Formula: C20H26Br2N6O4 MolecularWeight: 574.26624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C(=O)N2)CCCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N.Br.Br

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C(=O)N2)CCCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N.Br.Br

InChI

InChI=1S/C20H24N6O4.2BrH/c1-11(2)26-17(13-8-6-12(7-9-13)16(21)22)23-15-18(26)24-20(30)25(19(15)29)10-4-3-5-14(27)28;;/h6-9,11H,3-5,10H2,1-2H3,(H3,21,22)(H,24,30)(H,27,28);2*1H