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

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-piperonylpiperazino)methyl]-s-triazin-2-yl]-(2,5-dimethoxyphenyl)amine Formula: C24H29N7O4 MolecularWeight: 479.53156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N7O4/c1-32-17-4-6-19(33-2)18(12-17)26-24-28-22(27-23(25)29-24)14-31-9-7-30(8-10-31)13-16-3-5-20-21(11-16)35-15-34-20/h3-6,11-12H,7-10,13-15H2,1-2H3,(H3,25,26,27,28,29)