1-methyl-2-[(2-oxidanyl-2,3-dihydro-1H-inden-1-yl)amino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 1-methyl-2-[(2-oxidanyl-2,3-dihydro-1H-inden-1-yl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(2-hydroxyindan-1-yl)amino]-1-methyl-purin-6-one CAS Name: 2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpurin-6-one Traditional Name: 7-benzyl-2-[(2-hydroxyindan-1-yl)amino]-1-methyl-purin-6-one Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NC4C(CC5=CC=CC=C45)O

Isomeric SMILES

CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1NC4C(CC5=CC=CC=C45)O

InChI

InChI=1S/C22H21N5O2/c1-26-21(29)19-20(23-13-27(19)12-14-7-3-2-4-8-14)25-22(26)24-18-16-10-6-5-9-15(16)11-17(18)28/h2-10,13,17-18,28H,11-12H2,1H3,(H,24,25)