5-[8-(4-carbamimidoylphenyl)-9-methyl-6-oxidanyl-6H-purin-1-yl]pentanoic acid dihydrochloride

Systemtic Name: 5-[8-(4-carbamimidoylphenyl)-9-methyl-6-oxidanyl-6H-purin-1-yl]pentanoic acid dihydrochloride Openeye Name: 5-[8-(4-carbamimidoylphenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid dihydrochloride CAS Name: 5-[8-(4-carbamimidoylphenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid dihydrochloride IUPAC Name: 5-[8-(4-carbamimidoylphenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid dihydrochloride Traditional Name: 5-[8-(4-amidinophenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]valeric acid dihydrochloride Formula: C18H24Cl2N6O3 MolecularWeight: 443.32756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(N(C=N2)CCCCC(=O)O)O)N=C1C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CN1C2=C(C(N(C=N2)CCCCC(=O)O)O)N=C1C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C18H22N6O3.2ClH/c1-23-16(12-7-5-11(6-8-12)15(19)20)22-14-17(23)21-10-24(18(14)27)9-3-2-4-13(25)26;;/h5-8,10,18,27H,2-4,9H2,1H3,(H3,19,20)(H,25,26);2*1H