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

Systemtic Name: 1-methyl-2-[(2-oxidanyl-2-phenyl-ethyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(2-hydroxy-2-phenyl-ethyl)amino]-1-methyl-purin-6-one CAS Name: 2-[(2-hydroxy-2-phenylethyl)amino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(2-hydroxy-2-phenylethyl)amino]-1-methylpurin-6-one Traditional Name: 7-benzyl-2-[(2-hydroxy-2-phenyl-ethyl)amino]-1-methyl-purin-6-one Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NCC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NCC(C4=CC=CC=C4)O

InChI

InChI=1S/C21H21N5O2/c1-25-20(28)18-19(23-14-26(18)13-15-8-4-2-5-9-15)24-21(25)22-12-17(27)16-10-6-3-7-11-16/h2-11,14,17,27H,12-13H2,1H3,(H,22,24)