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

Systemtic Name: 1,8-dimethyl-2-[(2-oxidanyl-1-phenyl-ethyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(2-hydroxy-1-phenyl-ethyl)amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[(2-hydroxy-1-phenylethyl)amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(2-hydroxy-1-phenylethyl)amino]-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-2-[(2-hydroxy-1-phenyl-ethyl)amino]-1,8-dimethyl-purin-6-one Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-15-23-20-19(27(15)13-16-9-5-3-6-10-16)21(29)26(2)22(25-20)24-18(14-28)17-11-7-4-8-12-17/h3-12,18,28H,13-14H2,1-2H3,(H,24,25)