(2R)-3-methyl-2-[[9-propan-2-yl-6-[(4-pyridin-3-ylphenyl)amino]purin-2-yl]amino]butan-1-ol

Systemtic Name: (2R)-3-methyl-2-[[9-propan-2-yl-6-[(4-pyridin-3-ylphenyl)amino]purin-2-yl]amino]butan-1-ol Openeye Name: (2R)-2-[[9-isopropyl-6-[4-(3-pyridyl)anilino]purin-2-yl]amino]-3-methyl-butan-1-ol CAS Name: (2R)-3-methyl-2-[[9-propan-2-yl-6-[4-(3-pyridinyl)anilino]-2-purinyl]amino]-1-butanol IUPAC Name: (2R)-3-methyl-2-[[9-propan-2-yl-6-(4-pyridin-3-ylanilino)purin-2-yl]amino]butan-1-ol Traditional Name: (2R)-2-[[9-isopropyl-6-[4-(3-pyridyl)anilino]purin-2-yl]amino]-3-methyl-butan-1-ol Formula: C24H29N7O MolecularWeight: 431.53336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C4=CN=CC=C4)N=CN2C(C)C

Isomeric SMILES

CC(C)[C@H](CO)NC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C4=CN=CC=C4)N=CN2C(C)C

InChI

InChI=1S/C24H29N7O/c1-15(2)20(13-32)28-24-29-22(21-23(30-24)31(14-26-21)16(3)4)27-19-9-7-17(8-10-19)18-6-5-11-25-12-18/h5-12,14-16,20,32H,13H2,1-4H3,(H2,27,28,29,30)/t20-/m0/s1