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

Systemtic Name: [8-cyclopentyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)-3-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: (1-benzyl-8-cyclopentyl-2,6-dioxo-3-propyl-purin-7-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-2,6-dioxo-1-(phenylmethyl)-3-propyl-7-purinyl]methyl ester IUPAC Name: (1-benzyl-8-cyclopentyl-2,6-dioxo-3-propylpurin-7-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (1-benzyl-8-cyclopentyl-2,6-diketo-3-propyl-purin-7-yl)methyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)C4CCCC4)COC(=O)C(C)(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)C4CCCC4)COC(=O)C(C)(C)C

InChI

InChI=1S/C26H34N4O4/c1-5-15-28-22-20(23(31)29(25(28)33)16-18-11-7-6-8-12-18)30(17-34-24(32)26(2,3)4)21(27-22)19-13-9-10-14-19/h6-8,11-12,19H,5,9-10,13-17H2,1-4H3