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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-ethyl-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-(1-naphthyl)-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N5O4/c1-2-28(19-9-5-7-17-6-3-4-8-18(17)19)24-22(29(30)31)23(26-14-27-24)25-13-16-10-11-20-21(12-16)33-15-32-20/h3-12,14H,2,13,15H2,1H3,(H,25,26,27)