3-[[[2-(3-oxidanylpropylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenol

Systemtic Name: 3-[[[2-(3-oxidanylpropylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenol Openeye Name: 3-[[[2-(3-hydroxypropylamino)-9-isopropyl-purin-6-yl]amino]methyl]phenol CAS Name: 3-[[[2-(3-hydroxypropylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol IUPAC Name: 3-[[[2-(3-hydroxypropylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenol Traditional Name: 3-[[[2-(3-hydroxypropylamino)-9-isopropyl-purin-6-yl]amino]methyl]phenol Formula: C18H24N6O2 MolecularWeight: 356.42216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)O)NCCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)O)NCCCO

InChI

InChI=1S/C18H24N6O2/c1-12(2)24-11-21-15-16(20-10-13-5-3-6-14(26)9-13)22-18(23-17(15)24)19-7-4-8-25/h3,5-6,9,11-12,25-26H,4,7-8,10H2,1-2H3,(H2,19,20,22,23)