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

Systemtic Name: [8-cyclopentyl-2,6-bis(oxidanylidene)-1-(3-oxidanylpropyl)-3-(phenylmethyl)purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [3-benzyl-8-cyclopentyl-1-(3-hydroxypropyl)-2,6-dioxo-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-1-(3-hydroxypropyl)-2,6-dioxo-3-(phenylmethyl)-7-purinyl]methyl ester IUPAC Name: [3-benzyl-8-cyclopentyl-1-(3-hydroxypropyl)-2,6-dioxopurin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-benzyl-8-cyclopentyl-1-(3-hydroxypropyl)-2,6-diketo-purin-7-yl]methyl ester Formula: C26H34N4O5 MolecularWeight: 482.57196

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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)CCCO)C4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O5/c1-26(2,3)24(33)35-17-30-20-22(27-21(30)19-12-7-8-13-19)29(16-18-10-5-4-6-11-18)25(34)28(23(20)32)14-9-15-31/h4-6,10-11,19,31H,7-9,12-17H2,1-3H3