1,8-dimethyl-2-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 1,8-dimethyl-2-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(1-benzyl-2-hydroxy-ethyl)amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-2-[(1-benzyl-2-hydroxy-ethyl)amino]-1,8-dimethyl-purin-6-one Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC(CC4=CC=CC=C4)CO)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC(CC4=CC=CC=C4)CO)C

InChI

InChI=1S/C23H25N5O2/c1-16-24-21-20(28(16)14-18-11-7-4-8-12-18)22(30)27(2)23(26-21)25-19(15-29)13-17-9-5-3-6-10-17/h3-12,19,29H,13-15H2,1-2H3,(H,25,26)