8-ethyl-1-methyl-2-[(2-oxidanylcyclopentyl)amino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 8-ethyl-1-methyl-2-[(2-oxidanylcyclopentyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-8-ethyl-2-[(2-hydroxycyclopentyl)amino]-1-methyl-purin-6-one CAS Name: 8-ethyl-2-[(2-hydroxycyclopentyl)amino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-8-ethyl-2-[(2-hydroxycyclopentyl)amino]-1-methylpurin-6-one Traditional Name: 7-benzyl-8-ethyl-2-[(2-hydroxycyclopentyl)amino]-1-methyl-purin-6-one Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4CCCC4O)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4CCCC4O)C

InChI

InChI=1S/C20H25N5O2/c1-3-16-22-18-17(25(16)12-13-8-5-4-6-9-13)19(27)24(2)20(23-18)21-14-10-7-11-15(14)26/h4-6,8-9,14-15,26H,3,7,10-12H2,1-2H3,(H,21,23)