3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-(4-bromophenyl)cyclopentane-1-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-(4-bromophenyl)cyclopentane-1-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 1-(4-bromophenyl)cyclopentanecarboxylate CAS Name: 1-(4-bromophenyl)-1-cyclopentanecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 1-(4-bromophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-bromophenyl)cyclopentanecarboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C22H25BrN4O4 MolecularWeight: 489.3623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3(CCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3(CCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H25BrN4O4/c1-25-14-24-18-17(25)19(28)27(21(30)26(18)2)12-5-13-31-20(29)22(10-3-4-11-22)15-6-8-16(23)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3