N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-ethyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: ethyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]-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-])NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

InChI

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