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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-methylpyridin-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-methyl-2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(5-methylpyridin-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(5-methyl-2-pyridyl)amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CN=C(C=C1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N6O2/c1-10-2-5-14(19-7-10)23-17-15(18)16(20-8-21-17)22-11-3-4-12-13(6-11)25-9-24-12/h2-8H,9,18H2,1H3,(H2,19,20,21,22,23)