3-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]propane-1,2-diol

Systemtic Name: 3-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]propane-1,2-diol Openeye Name: 3-[[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]propane-1,2-diol CAS Name: 3-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]propane-1,2-diol IUPAC Name: 3-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]propane-1,2-diol Traditional Name: 3-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]propane-1,2-diol Formula: C24H28N6O2 MolecularWeight: 432.51812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NCC(CO)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NCC(CO)O

InChI

InChI=1S/C24H28N6O2/c1-16(2)30-15-27-21-22(28-24(29-23(21)30)26-13-20(32)14-31)25-12-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15-16,20,31-32H,12-14H2,1-2H3,(H2,25,26,28,29)