(2R)-2-[[6-[(2-phenylphenyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: (2R)-2-[[6-[(2-phenylphenyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: (2R)-2-[[9-isopropyl-6-(2-phenylanilino)purin-2-yl]amino]butan-1-ol CAS Name: (2R)-2-[[6-(2-phenylanilino)-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: (2R)-2-[[6-(2-phenylanilino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: (2R)-2-[[9-isopropyl-6-(2-phenylanilino)purin-2-yl]amino]butan-1-ol Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NC3=CC=CC=C3C4=CC=CC=C4)N=CN2C(C)C

Isomeric SMILES

CC[C@H](CO)NC1=NC2=C(C(=N1)NC3=CC=CC=C3C4=CC=CC=C4)N=CN2C(C)C

InChI

InChI=1S/C24H28N6O/c1-4-18(14-31)26-24-28-22(21-23(29-24)30(15-25-21)16(2)3)27-20-13-9-8-12-19(20)17-10-6-5-7-11-17/h5-13,15-16,18,31H,4,14H2,1-3H3,(H2,26,27,28,29)/t18-/m1/s1