[(2R)-1-[6-[(3-bromophenyl)amino]-9-propan-2-yl-purin-2-yl]pyrrolidin-2-yl]methanol

Systemtic Name: [(2R)-1-[6-[(3-bromophenyl)amino]-9-propan-2-yl-purin-2-yl]pyrrolidin-2-yl]methanol Openeye Name: [(2R)-1-[6-(3-bromoanilino)-9-isopropyl-purin-2-yl]pyrrolidin-2-yl]methanol CAS Name: [(2R)-1-[6-(3-bromoanilino)-9-propan-2-yl-2-purinyl]-2-pyrrolidinyl]methanol IUPAC Name: [(2R)-1-[6-(3-bromoanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol Traditional Name: [(2R)-1-[6-(3-bromoanilino)-9-isopropyl-purin-2-yl]pyrrolidin-2-yl]methanol Formula: C19H23BrN6O MolecularWeight: 431.32952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Br)N4CCCC4CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Br)N4CCC[C@@H]4CO

InChI

InChI=1S/C19H23BrN6O/c1-12(2)26-11-21-16-17(22-14-6-3-5-13(20)9-14)23-19(24-18(16)26)25-8-4-7-15(25)10-27/h3,5-6,9,11-12,15,27H,4,7-8,10H2,1-2H3,(H,22,23,24)/t15-/m1/s1