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

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-ethyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-ethyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H19N5O4/c1-2-24(15-6-4-3-5-7-15)20-18(25(26)27)19(21-13-22-20)23-14-8-9-16-17(12-14)29-11-10-28-16/h3-9,12-13H,2,10-11H2,1H3,(H,21,22,23)