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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-ethyl-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-ethyl-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-ethyl-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-ethyl-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-ethyl-(1-naphthyl)amine Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H19N5O4/c1-2-27(18-9-5-7-15-6-3-4-8-17(15)18)23-21(28(29)30)22(24-13-25-23)26-16-10-11-19-20(12-16)32-14-31-19/h3-13H,2,14H2,1H3,(H,24,25,26)