1-[(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-7-cyclopentyl-purine-2,6-dione CAS Name: 1-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-7-cyclopentylpurine-2,6-dione Traditional Name: 3-benzyl-1-[(1R)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]-7-cyclopentyl-xanthine Formula: C26H25ClN4O3 MolecularWeight: 476.9547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Cl)N2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H25ClN4O3/c1-17(23(32)19-11-13-20(27)14-12-19)31-25(33)22-24(28-16-30(22)21-9-5-6-10-21)29(26(31)34)15-18-7-3-2-4-8-18/h2-4,7-8,11-14,16-17,21H,5-6,9-10,15H2,1H3/t17-/m1/s1