5-[8-(4-carbamimidoylphenyl)-2-chloranyl-9-methyl-6-oxidanyl-6H-purin-1-yl]pentanoic acid

Systemtic Name: 5-[8-(4-carbamimidoylphenyl)-2-chloranyl-9-methyl-6-oxidanyl-6H-purin-1-yl]pentanoic acid Openeye Name: 5-[8-(4-carbamimidoylphenyl)-2-chloro-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid CAS Name: 5-[8-(4-carbamimidoylphenyl)-2-chloro-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid IUPAC Name: 5-[8-(4-carbamimidoylphenyl)-2-chloro-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid Traditional Name: 5-[8-(4-amidinophenyl)-2-chloro-6-hydroxy-9-methyl-6H-purin-1-yl]valeric acid Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6O3/c1-24-15(11-7-5-10(6-8-11)14(20)21)22-13-16(24)23-18(19)25(17(13)28)9-3-2-4-12(26)27/h5-8,17,28H,2-4,9H2,1H3,(H3,20,21)(H,26,27)