N2-(1,3-benzodioxol-5-yl)-N4,N6-bis[(Z)-1-pyridin-4-ylethylideneamino]pyrimidine-2,4,6-triamine

Systemtic Name: N2-(1,3-benzodioxol-5-yl)-N4,N6-bis[(Z)-1-pyridin-4-ylethylideneamino]pyrimidine-2,4,6-triamine Openeye Name: N2-(1,3-benzodioxol-5-yl)-N4,N6-bis[(Z)-1-(4-pyridyl)ethylideneamino]pyrimidine-2,4,6-triamine CAS Name: N2-(1,3-benzodioxol-5-yl)-N4,N6-bis[(Z)-1-pyridin-4-ylethylideneamino]pyrimidine-2,4,6-triamine IUPAC Name: 2-N-(1,3-benzodioxol-5-yl)-4-N,6-N-bis[(Z)-1-pyridin-4-ylethylideneamino]pyrimidine-2,4,6-triamine Traditional Name: 1,3-benzodioxol-5-yl-[4,6-bis[(N'Z)-N'-[1-(4-pyridyl)ethylidene]hydrazino]pyrimidin-2-yl]amine Formula: C25H23N9O2 MolecularWeight: 481.50922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)OCO3)NN=C(C)C4=CC=NC=C4)C5=CC=NC=C5

Isomeric SMILES

C/C(=N/NC1=CC(=NC(=N1)NC2=CC3=C(C=C2)OCO3)N/N=C(/C)\C4=CC=NC=C4)/C5=CC=NC=C5

InChI

InChI=1S/C25H23N9O2/c1-16(18-5-9-26-10-6-18)31-33-23-14-24(34-32-17(2)19-7-11-27-12-8-19)30-25(29-23)28-20-3-4-21-22(13-20)36-15-35-21/h3-14H,15H2,1-2H3,(H3,28,29,30,33,34)/b31-16-,32-17-