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

Systemtic Name: 5-[8-(4-carbamimidoylphenyl)-9-methyl-6-oxidanyl-6H-purin-1-yl]pentanoic acid Openeye Name: 5-[8-(4-carbamimidoylphenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid CAS Name: 5-[8-(4-carbamimidoylphenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid IUPAC Name: 5-[8-(4-carbamimidoylphenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid Traditional Name: 5-[8-(4-amidinophenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]valeric acid Formula: C18H22N6O3 MolecularWeight: 370.40568

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3/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)