1-[[2-(phenethylamino)-9-propan-2-yl-purin-6-yl]amino]-2,3-dihydro-1H-inden-2-ol

Systemtic Name: 1-[[2-(phenethylamino)-9-propan-2-yl-purin-6-yl]amino]-2,3-dihydro-1H-inden-2-ol Openeye Name: 1-[[9-isopropyl-2-(phenethylamino)purin-6-yl]amino]indan-2-ol CAS Name: 1-[[2-(phenethylamino)-9-propan-2-yl-6-purinyl]amino]-2,3-dihydro-1H-inden-2-ol IUPAC Name: 1-[[2-(phenethylamino)-9-propan-2-ylpurin-6-yl]amino]-2,3-dihydro-1H-inden-2-ol Traditional Name: 1-[[9-isopropyl-2-(phenethylamino)purin-6-yl]amino]indan-2-ol Formula: C25H28N6O MolecularWeight: 428.52942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3C(CC4=CC=CC=C34)O)NCCC5=CC=CC=C5

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3C(CC4=CC=CC=C34)O)NCCC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O/c1-16(2)31-15-27-22-23(28-21-19-11-7-6-10-18(19)14-20(21)32)29-25(30-24(22)31)26-13-12-17-8-4-3-5-9-17/h3-11,15-16,20-21,32H,12-14H2,1-2H3,(H2,26,28,29,30)