[8-cyclopentyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [8-cyclopentyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: (3-benzyl-8-cyclopentyl-1-methyl-2,6-dioxo-purin-7-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-1-methyl-2,6-dioxo-3-(phenylmethyl)-7-purinyl]methyl ester IUPAC Name: (3-benzyl-8-cyclopentyl-1-methyl-2,6-dioxopurin-7-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (3-benzyl-8-cyclopentyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C)C4CCCC4

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C)C4CCCC4

InChI

InChI=1S/C24H30N4O4/c1-24(2,3)22(30)32-15-28-18-20(25-19(28)17-12-8-9-13-17)27(23(31)26(4)21(18)29)14-16-10-6-5-7-11-16/h5-7,10-11,17H,8-9,12-15H2,1-4H3