6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-piperonylpiperazino)methyl]-s-triazin-2-yl]-phenyl-amine Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C22H25N7O2/c23-21-25-20(26-22(27-21)24-17-4-2-1-3-5-17)14-29-10-8-28(9-11-29)13-16-6-7-18-19(12-16)31-15-30-18/h1-7,12H,8-11,13-15H2,(H3,23,24,25,26,27)