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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-phenylcyclopentane-1-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-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-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-24-15-23-18-17(24)19(27)26(21(29)25(18)2)13-8-14-30-20(28)22(11-6-7-12-22)16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3