6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-ethyl-N4-phenyl-pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-ethyl-N4-phenyl-pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-ethyl-N4-phenyl-pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-ethyl-N4-phenylpyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-ethyl-4-N-phenylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C24H28N6O2 MolecularWeight: 432.51812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N6O2/c1-2-30(19-6-4-3-5-7-19)24-22(25)23(26-16-27-24)29-12-10-28(11-13-29)15-18-8-9-20-21(14-18)32-17-31-20/h3-9,14,16H,2,10-13,15,17,25H2,1H3