2-[[1-(hydroxymethyl)cyclopentyl]amino]-1,8-dimethyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1,8-dimethyl-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[[1-(hydroxymethyl)cyclopentyl]amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[[1-(hydroxymethyl)cyclopentyl]amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[[1-(hydroxymethyl)cyclopentyl]amino]-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-1,8-dimethyl-2-[(1-methylolcyclopentyl)amino]purin-6-one Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4(CCCC4)CO)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4(CCCC4)CO)C

InChI

InChI=1S/C20H25N5O2/c1-14-21-17-16(25(14)12-15-8-4-3-5-9-15)18(27)24(2)19(22-17)23-20(13-26)10-6-7-11-20/h3-5,8-9,26H,6-7,10-13H2,1-2H3,(H,22,23)