2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]-3-phenyl-propan-1-ol

Systemtic Name: 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]-3-phenyl-propan-1-ol Openeye Name: 2-[[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]amino]-3-phenyl-propan-1-ol CAS Name: 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]-3-phenyl-1-propanol IUPAC Name: 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]-3-phenylpropan-1-ol Traditional Name: 2-[[9-isopropyl-6-(p-anisylamino)purin-2-yl]amino]-3-phenyl-propan-1-ol Formula: C25H30N6O2 MolecularWeight: 446.5447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC(CC4=CC=CC=C4)CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC(CC4=CC=CC=C4)CO

InChI

InChI=1S/C25H30N6O2/c1-17(2)31-16-27-22-23(26-14-19-9-11-21(33-3)12-10-19)29-25(30-24(22)31)28-20(15-32)13-18-7-5-4-6-8-18/h4-12,16-17,20,32H,13-15H2,1-3H3,(H2,26,28,29,30)