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

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-piperonylpiperazino)methyl]-s-triazin-2-yl]-(4-methoxyphenyl)amine Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N7O3/c1-31-18-5-3-17(4-6-18)25-23-27-21(26-22(24)28-23)14-30-10-8-29(9-11-30)13-16-2-7-19-20(12-16)33-15-32-19/h2-7,12H,8-11,13-15H2,1H3,(H3,24,25,26,27,28)