ethyl 5-[8-(4-carbamimidoylphenyl)-2-chloranyl-9-methyl-6-oxidanylidene-purin-1-yl]pentanoate

Systemtic Name: ethyl 5-[8-(4-carbamimidoylphenyl)-2-chloranyl-9-methyl-6-oxidanylidene-purin-1-yl]pentanoate Openeye Name: ethyl 5-[8-(4-carbamimidoylphenyl)-2-chloro-9-methyl-6-oxo-purin-1-yl]pentanoate CAS Name: 5-[8-(4-carbamimidoylphenyl)-2-chloro-9-methyl-6-oxo-1-purinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[8-(4-carbamimidoylphenyl)-2-chloro-9-methyl-6-oxopurin-1-yl]pentanoate Traditional Name: 5-[8-(4-amidinophenyl)-2-chloro-6-keto-9-methyl-purin-1-yl]valeric acid ethyl ester Formula: C20H23ClN6O3 MolecularWeight: 430.88802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C(=O)C2=C(N=C1Cl)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCCCN1C(=O)C2=C(N=C1Cl)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C20H23ClN6O3/c1-3-30-14(28)6-4-5-11-27-19(29)15-18(25-20(27)21)26(2)17(24-15)13-9-7-12(8-10-13)16(22)23/h7-10H,3-6,11H2,1-2H3,(H3,22,23)