2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-[(4-bromophenyl)methylamino]-9-isopropyl-purin-2-yl]amino]butan-1-ol CAS Name: 2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-[(4-bromobenzyl)amino]-9-isopropyl-purin-2-yl]amino]butan-1-ol Formula: C19H25BrN6O MolecularWeight: 433.3454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)Br)N=CN2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)Br)N=CN2C(C)C

InChI

InChI=1S/C19H25BrN6O/c1-4-15(10-27)23-19-24-17(21-9-13-5-7-14(20)8-6-13)16-18(25-19)26(11-22-16)12(2)3/h5-8,11-12,15,27H,4,9-10H2,1-3H3,(H2,21,23,24,25)