2-[[6-[(3-bromophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]ethanol

Systemtic Name: 2-[[6-[(3-bromophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]ethanol Openeye Name: 2-[[6-(3-bromoanilino)-9-isopropyl-purin-2-yl]amino]ethanol CAS Name: 2-[[6-(3-bromoanilino)-9-propan-2-yl-2-purinyl]amino]ethanol IUPAC Name: 2-[[6-(3-bromoanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol Traditional Name: 2-[[6-(3-bromoanilino)-9-isopropyl-purin-2-yl]amino]ethanol Formula: C16H19BrN6O MolecularWeight: 391.26566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)