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

Systemtic Name: (2R)-3-methyl-2-[[6-[(3-phenylphenyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: (2R)-2-[[9-isopropyl-6-(3-phenylanilino)purin-2-yl]amino]-3-methyl-butan-1-ol CAS Name: (2R)-3-methyl-2-[[6-(3-phenylanilino)-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: (2R)-3-methyl-2-[[6-(3-phenylanilino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: (2R)-2-[[9-isopropyl-6-(3-phenylanilino)purin-2-yl]amino]-3-methyl-butan-1-ol Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O/c1-16(2)21(14-32)28-25-29-23(22-24(30-25)31(15-26-22)17(3)4)27-20-12-8-11-19(13-20)18-9-6-5-7-10-18/h5-13,15-17,21,32H,14H2,1-4H3,(H2,27,28,29,30)/t21-/m0/s1