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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: 1-naphthyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H17N5O4/c28-27(29)20-21(23-11-14-8-9-18-19(10-14)31-13-30-18)24-12-25-22(20)26-17-7-3-5-15-4-1-2-6-16(15)17/h1-10,12H,11,13H2,(H2,23,24,25,26)