N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methylpyridin-2-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methylpyridin-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methyl-2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(3-methylpyridin-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(3-methyl-2-pyridyl)amino]pyrimidin-4-yl]-piperonyl-amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H18N6O2/c1-11-3-2-6-20-16(11)24-18-15(19)17(22-9-23-18)21-8-12-4-5-13-14(7-12)26-10-25-13/h2-7,9H,8,10,19H2,1H3,(H2,20,21,22,23,24)