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

Systemtic Name: (2R)-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]butan-1-ol CAS Name: (2R)-2-[[9-propan-2-yl-6-[4-(3-pyridinyl)anilino]-2-purinyl]amino]-1-butanol IUPAC Name: (2R)-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]butan-1-ol Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O/c1-4-18(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-19-9-7-16(8-10-19)17-6-5-11-24-12-17/h5-12,14-15,18,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t18-/m1/s1