N2-(3-ethynylphenyl)-N4-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-ethynylphenyl)-N4-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3-ethynylphenyl)-N4-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-ethynylphenyl)-N4-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-ethynylphenyl)-4-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(3-ethynylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=CC(=C2)C#C

Isomeric SMILES

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C13H11N5O2/c1-3-9-5-4-6-10(7-9)16-13-15-8-11(18(19)20)12(14-2)17-13/h1,4-8H,2H3,(H2,14,15,16,17)