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

Systemtic Name: (2R)-2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]-ethyl-amino]-3-methyl-butan-1-ol Openeye Name: (2R)-2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-ethyl-amino]-3-methyl-butan-1-ol CAS Name: (2R)-2-[[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]-ethylamino]-3-methyl-1-butanol IUPAC Name: (2R)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]-ethylamino]-3-methylbutan-1-ol Traditional Name: (2R)-2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-ethyl-amino]-3-methyl-butan-1-ol Formula: C21H29ClN6O MolecularWeight: 416.94756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(C1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C)[C@@H](CO)C(C)C

InChI

InChI=1S/C21H29ClN6O/c1-6-27(17(11-29)13(2)3)21-25-19(24-16-9-7-8-15(22)10-16)18-20(26-21)28(12-23-18)14(4)5/h7-10,12-14,17,29H,6,11H2,1-5H3,(H,24,25,26)/t17-/m0/s1