6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl-piperonyl-amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N6O2/c1-2-14-5-3-4-6-15(14)23-20-25-18(24-19(21)26-20)11-22-10-13-7-8-16-17(9-13)28-12-27-16/h3-9,22H,2,10-12H2,1H3,(H3,21,23,24,25,26)