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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6/c26-25(27)18-19(21-9-12-1-3-15-16(7-12)31-11-30-15)22-10-23-20(18)24-13-2-4-14-17(8-13)29-6-5-28-14/h1-4,7-8,10H,5-6,9,11H2,(H2,21,22,23,24)