2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol

Systemtic Name: 2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol Openeye Name: 2-[[6-[(4-bromophenyl)methylamino]-9-isopropyl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol CAS Name: 2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-2-purinyl]-(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-ylpurin-2-yl]-(2-hydroxyethyl)amino]ethanol Traditional Name: 2-[[6-[(4-bromobenzyl)amino]-9-isopropyl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol Formula: C19H25BrN6O2 MolecularWeight: 449.3448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)N(CCO)CCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)N(CCO)CCO

InChI

InChI=1S/C19H25BrN6O2/c1-13(2)26-12-22-16-17(21-11-14-3-5-15(20)6-4-14)23-19(24-18(16)26)25(7-9-27)8-10-28/h3-6,12-13,27-28H,7-11H2,1-2H3,(H,21,23,24)