N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-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=NC(=NC=C3[N+](=O)[O-])NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3[N+](=O)[O-])NC4=CC5=C(C=C4)OCCO5

InChI

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