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

Systemtic Name: ethyl 5-[2-chloranyl-8-(4-cyanophenyl)-9-methyl-6-oxidanylidene-purin-1-yl]pentanoate Openeye Name: ethyl 5-[2-chloro-8-(4-cyanophenyl)-9-methyl-6-oxo-purin-1-yl]pentanoate CAS Name: 5-[2-chloro-8-(4-cyanophenyl)-9-methyl-6-oxo-1-purinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-chloro-8-(4-cyanophenyl)-9-methyl-6-oxopurin-1-yl]pentanoate Traditional Name: 5-[2-chloro-8-(4-cyanophenyl)-6-keto-9-methyl-purin-1-yl]valeric acid ethyl ester Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O3/c1-3-29-15(27)6-4-5-11-26-19(28)16-18(24-20(26)21)25(2)17(23-16)14-9-7-13(12-22)8-10-14/h7-10H,3-6,11H2,1-2H3