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

Systemtic Name: [8-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: (3-benzyl-8-cyclopentyl-2,6-dioxo-purin-7-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-7-purinyl]methyl ester IUPAC Name: (3-benzyl-8-cyclopentyl-2,6-dioxopurin-7-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (3-benzyl-8-cyclopentyl-2,6-diketo-purin-7-yl)methyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-23(2,3)21(29)31-14-27-17-19(24-18(27)16-11-7-8-12-16)26(22(30)25-20(17)28)13-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,25,28,30)