6-methoxy-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrimidine-2,4-diamine

Systemtic Name: 6-methoxy-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrimidine-2,4-diamine Openeye Name: 6-methoxy-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrimidine-2,4-diamine CAS Name: 6-methoxy-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrimidine-2,4-diamine IUPAC Name: 6-methoxy-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-methoxy-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-yl]amine Formula: C13H11N7O4 MolecularWeight: 329.27094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1C2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])N)N

Isomeric SMILES

COC1=NC(=NC(=C1C2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])N)N

InChI

InChI=1S/C13H11N7O4/c1-23-11-8(9(14)16-13(15)18-11)12-17-10(19-24-12)6-3-2-4-7(5-6)20(21)22/h2-5H,1H3,(H4,14,15,16,18)