ethyl 5-[8-(4-cyanophenyl)-9-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl]pentanoate

Systemtic Name: ethyl 5-[8-(4-cyanophenyl)-9-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl]pentanoate Openeye Name: ethyl 5-[8-(4-cyanophenyl)-9-methyl-2,6-dioxo-3H-purin-1-yl]pentanoate CAS Name: 5-[8-(4-cyanophenyl)-9-methyl-2,6-dioxo-3H-purin-1-yl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[8-(4-cyanophenyl)-9-methyl-2,6-dioxo-3H-purin-1-yl]pentanoate Traditional Name: 5-[8-(4-cyanophenyl)-2,6-diketo-9-methyl-3H-purin-1-yl]valeric acid ethyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)CCCCN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H21N5O4/c1-3-29-15(26)6-4-5-11-25-19(27)16-18(23-20(25)28)24(2)17(22-16)14-9-7-13(12-21)8-10-14/h7-10H,3-6,11H2,1-2H3,(H,23,28)