3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C25H32N4O6 MolecularWeight: 484.54478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C25H32N4O6/c1-4-5-6-15-34-19-10-8-18(9-11-19)20(30)12-13-21(31)35-16-7-14-29-24(32)22-23(26-17-27(22)2)28(3)25(29)33/h8-11,17H,4-7,12-16H2,1-3H3