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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CN=CC=C4)N=CN2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CN=CC=C4)N=CN2C(C)C

InChI

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