1-(4-bromophenyl)-3-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]propan-1-ol

Systemtic Name: 1-(4-bromophenyl)-3-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]propan-1-ol Openeye Name: 1-(4-bromophenyl)-3-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]propan-1-ol CAS Name: 3-[[4,6-bis(1-pyrrolidinyl)-2-pyrimidinyl]amino]-1-(4-bromophenyl)-1-propanol IUPAC Name: 1-(4-bromophenyl)-3-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]propan-1-ol Traditional Name: 1-(4-bromophenyl)-3-[(4,6-dipyrrolidinopyrimidin-2-yl)amino]propan-1-ol Formula: C21H28BrN5O MolecularWeight: 446.38392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)NCCC(C3=CC=C(C=C3)Br)O)N4CCCC4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)NCCC(C3=CC=C(C=C3)Br)O)N4CCCC4

InChI

InChI=1S/C21H28BrN5O/c22-17-7-5-16(6-8-17)18(28)9-10-23-21-24-19(26-11-1-2-12-26)15-20(25-21)27-13-3-4-14-27/h5-8,15,18,28H,1-4,9-14H2,(H,23,24,25)