6-(3,4-dimethylphenoxy)-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dimethylphenoxy)-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dimethylphenoxy)-N-(2-furylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-N-(2-furanylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dimethylphenoxy)-N-(furan-2-ylmethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3)C

InChI

InChI=1S/C17H16N4O4/c1-11-5-6-13(8-12(11)2)25-17-15(21(22)23)16(19-10-20-17)18-9-14-4-3-7-24-14/h3-8,10H,9H2,1-2H3,(H,18,19,20)