ethyl 5-[8-(4-carbamimidoylphenyl)-9-methyl-6-oxidanyl-6H-purin-1-yl]pentanoate hydrochloride

Systemtic Name: ethyl 5-[8-(4-carbamimidoylphenyl)-9-methyl-6-oxidanyl-6H-purin-1-yl]pentanoate hydrochloride Openeye Name: ethyl 5-[8-(4-carbamimidoylphenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoate hydrochloride CAS Name: 5-[8-(4-carbamimidoylphenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[8-(4-carbamimidoylphenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]pentanoate hydrochloride Traditional Name: 5-[8-(4-amidinophenyl)-6-hydroxy-9-methyl-6H-purin-1-yl]valeric acid ethyl ester hydrochloride Formula: C20H27ClN6O3 MolecularWeight: 434.91978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C=NC2=C(C1O)N=C(N2C)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCOC(=O)CCCCN1C=NC2=C(C1O)N=C(N2C)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H26N6O3.ClH/c1-3-29-15(27)6-4-5-11-26-12-23-19-16(20(26)28)24-18(25(19)2)14-9-7-13(8-10-14)17(21)22;/h7-10,12,20,28H,3-6,11H2,1-2H3,(H3,21,22);1H