1-methyl-2-[(1-oxidanylcyclohexyl)methylamino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 1-methyl-2-[(1-oxidanylcyclohexyl)methylamino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(1-hydroxycyclohexyl)methylamino]-1-methyl-purin-6-one CAS Name: 2-[(1-hydroxycyclohexyl)methylamino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(1-hydroxycyclohexyl)methylamino]-1-methylpurin-6-one Traditional Name: 7-benzyl-2-[(1-hydroxycyclohexyl)methylamino]-1-methyl-purin-6-one Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NCC4(CCCCC4)O

Isomeric SMILES

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NCC4(CCCCC4)O

InChI

InChI=1S/C20H25N5O2/c1-24-18(26)16-17(22-14-25(16)12-15-8-4-2-5-9-15)23-19(24)21-13-20(27)10-6-3-7-11-20/h2,4-5,8-9,14,27H,3,6-7,10-13H2,1H3,(H,21,23)