N3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(5-methylpyridin-2-yl)-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(5-methylpyridin-2-yl)-1,2,4-triazole-3,5-diamine Openeye Name: N3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(5-methyl-2-pyridyl)-1,2,4-triazole-3,5-diamine CAS Name: N3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-(7-methoxy-1,3-benzodioxol-5-yl)-1-(5-methylpyridin-2-yl)-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(5-methyl-2-pyridyl)-1,2,4-triazol-3-yl]-(7-methoxy-1,3-benzodioxol-5-yl)amine Formula: C16H16N6O3 MolecularWeight: 340.33664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=NC(=N2)NC3=CC4=C(C(=C3)OC)OCO4)N

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=NC(=N2)NC3=CC4=C(C(=C3)OC)OCO4)N

InChI

InChI=1S/C16H16N6O3/c1-9-3-4-13(18-7-9)22-15(17)20-16(21-22)19-10-5-11(23-2)14-12(6-10)24-8-25-14/h3-7H,8H2,1-2H3,(H3,17,19,20,21)