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

Systemtic Name: 2-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]-3-methyl-butan-1-ol Openeye Name: 2-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-3-methyl-butan-1-ol CAS Name: 2-[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]-3-methyl-1-butanol IUPAC Name: 2-[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]-3-methylbutan-1-ol Traditional Name: 2-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-3-methyl-butan-1-ol Formula: C19H24ClN5O MolecularWeight: 373.87976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)C1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C

Isomeric SMILES

CC(C)C(CO)C1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C

InChI

InChI=1S/C19H24ClN5O/c1-11(2)15(9-26)17-23-18(22-14-7-5-6-13(20)8-14)16-19(24-17)25(10-21-16)12(3)4/h5-8,10-12,15,26H,9H2,1-4H3,(H,22,23,24)