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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C22H25N7O2 MolecularWeight: 419.4796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CN=CC=C5)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CN=CC=C5)N

InChI

InChI=1S/C22H25N7O2/c23-20-21(25-12-17-2-1-5-24-11-17)26-14-27-22(20)29-8-6-28(7-9-29)13-16-3-4-18-19(10-16)31-15-30-18/h1-5,10-11,14H,6-9,12-13,15,23H2,(H,25,26,27)