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

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-piperonylpiperazino)methyl]-s-triazin-2-yl]-(4-chlorophenyl)amine Formula: C22H24ClN7O2 MolecularWeight: 453.92466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN7O2/c23-16-2-4-17(5-3-16)25-22-27-20(26-21(24)28-22)13-30-9-7-29(8-10-30)12-15-1-6-18-19(11-15)32-14-31-18/h1-6,11H,7-10,12-14H2,(H3,24,25,26,27,28)