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

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-piperonylpiperazino)methyl]-s-triazin-2-yl]-(4-phenoxyphenyl)amine Formula: C28H29N7O3 MolecularWeight: 511.57496

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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)OC6=CC=CC=C6)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=NC(=N4)NC5=CC=C(C=C5)OC6=CC=CC=C6)N

InChI

InChI=1S/C28H29N7O3/c29-27-31-26(18-35-14-12-34(13-15-35)17-20-6-11-24-25(16-20)37-19-36-24)32-28(33-27)30-21-7-9-23(10-8-21)38-22-4-2-1-3-5-22/h1-11,16H,12-15,17-19H2,(H3,29,30,31,32,33)