2-[(1-cyclohexyl-2-oxidanyl-ethyl)amino]-1-methyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 2-[(1-cyclohexyl-2-oxidanyl-ethyl)amino]-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(1-cyclohexyl-2-hydroxy-ethyl)amino]-1-methyl-purin-6-one CAS Name: 2-[(1-cyclohexyl-2-hydroxyethyl)amino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(1-cyclohexyl-2-hydroxyethyl)amino]-1-methylpurin-6-one Traditional Name: 7-benzyl-2-[(1-cyclohexyl-2-hydroxy-ethyl)amino]-1-methyl-purin-6-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NC(CO)C4CCCCC4

Isomeric SMILES

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NC(CO)C4CCCCC4

InChI

InChI=1S/C21H27N5O2/c1-25-20(28)18-19(22-14-26(18)12-15-8-4-2-5-9-15)24-21(25)23-17(13-27)16-10-6-3-7-11-16/h2,4-5,8-9,14,16-17,27H,3,6-7,10-13H2,1H3,(H,23,24)