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

Systemtic Name: ethyl 5-[8-(4-cyanophenyl)-3,9-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate Openeye Name: ethyl 5-[8-(4-cyanophenyl)-3,9-dimethyl-2,6-dioxo-purin-1-yl]pentanoate CAS Name: 5-[8-(4-cyanophenyl)-3,9-dimethyl-2,6-dioxo-1-purinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[8-(4-cyanophenyl)-3,9-dimethyl-2,6-dioxopurin-1-yl]pentanoate Traditional Name: 5-[8-(4-cyanophenyl)-2,6-diketo-3,9-dimethyl-purin-1-yl]valeric acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C#N)C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C#N)C)N(C1=O)C

InChI

InChI=1S/C21H23N5O4/c1-4-30-16(27)7-5-6-12-26-20(28)17-19(25(3)21(26)29)24(2)18(23-17)15-10-8-14(13-22)9-11-15/h8-11H,4-7,12H2,1-3H3