7-cyclopentyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-(3,3-dimethyl-2-oxo-butyl)purine-2,6-dione CAS Name: 7-cyclopentyl-1-(3,3-dimethyl-2-oxobutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-(3,3-dimethyl-2-oxobutyl)purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-(2-keto-3,3-dimethyl-butyl)xanthine Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=O)C2=C(N=CN2C3CCCC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=O)C2=C(N=CN2C3CCCC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3/c1-23(2,3)18(28)14-26-21(29)19-20(24-15-27(19)17-11-7-8-12-17)25(22(26)30)13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3