(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-4-ylmethylamino)purin-2-yl]amino]pentan-2-ol

Systemtic Name: (2R,3S)-3-[[9-propan-2-yl-6-(pyridin-4-ylmethylamino)purin-2-yl]amino]pentan-2-ol Openeye Name: (2R,3S)-3-[[9-isopropyl-6-(4-pyridylmethylamino)purin-2-yl]amino]pentan-2-ol CAS Name: (2R,3S)-3-[[9-propan-2-yl-6-(pyridin-4-ylmethylamino)-2-purinyl]amino]-2-pentanol IUPAC Name: (2R,3S)-3-[[9-propan-2-yl-6-(pyridin-4-ylmethylamino)purin-2-yl]amino]pentan-2-ol Traditional Name: (2R,3S)-3-[[9-isopropyl-6-(4-pyridylmethylamino)purin-2-yl]amino]pentan-2-ol Formula: C19H27N7O MolecularWeight: 369.46398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)O)NC1=NC2=C(C(=N1)NCC3=CC=NC=C3)N=CN2C(C)C

Isomeric SMILES

CC[C@@H]([C@@H](C)O)NC1=NC2=C(C(=N1)NCC3=CC=NC=C3)N=CN2C(C)C

InChI

InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-6-8-20-9-7-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1