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

Systemtic Name: 2-[[6-[(4-bromophenyl)amino]-9-propan-2-yl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol Openeye Name: 2-[[6-(4-bromoanilino)-9-isopropyl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol CAS Name: 2-[[6-(4-bromoanilino)-9-propan-2-yl-2-purinyl]-(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-[[6-(4-bromoanilino)-9-propan-2-ylpurin-2-yl]-(2-hydroxyethyl)amino]ethanol Traditional Name: 2-[[6-(4-bromoanilino)-9-isopropyl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol Formula: C18H23BrN6O2 MolecularWeight: 435.31822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN6O2/c1-12(2)25-11-20-15-16(21-14-5-3-13(19)4-6-14)22-18(23-17(15)25)24(7-9-26)8-10-27/h3-6,11-12,26-27H,7-10H2,1-2H3,(H,21,22,23)