8-[[1-(hydroxymethyl)cyclopentyl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[[1-(hydroxymethyl)cyclopentyl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[1-(hydroxymethyl)cyclopentyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[1-(hydroxymethyl)cyclopentyl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[1-(hydroxymethyl)cyclopentyl]amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(1-methylolcyclopentyl)amino]xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3(CCCC3)CO)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3(CCCC3)CO)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O3/c1-23-16-15(17(27)24(2)19(23)28)25(12-14-8-4-3-5-9-14)18(21-16)22-20(13-26)10-6-7-11-20/h3-5,8-9,26H,6-7,10-13H2,1-2H3,(H,21,22)