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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-[(5-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H14N6O4 MolecularWeight: 366.33086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H14N6O4/c1-10-2-5-14(18-7-10)22-17-15(23(24)25)16(19-8-20-17)21-11-3-4-12-13(6-11)27-9-26-12/h2-8H,9H2,1H3,(H2,18,19,20,21,22)