4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzene-1,2-diamine

Systemtic Name: 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzene-1,2-diamine Openeye Name: 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzene-1,2-diamine CAS Name: 4-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]benzene-1,2-diamine IUPAC Name: 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzene-1,2-diamine Traditional Name: [2-amino-4-[2-[4-(2-pyrimidyl)piperazino]ethyl]phenyl]amine Formula: C16H22N6 MolecularWeight: 298.38608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC(=C(C=C2)N)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCC2=CC(=C(C=C2)N)N)C3=NC=CC=N3

InChI

InChI=1S/C16H22N6/c17-14-3-2-13(12-15(14)18)4-7-21-8-10-22(11-9-21)16-19-5-1-6-20-16/h1-3,5-6,12H,4,7-11,17-18H2