methyl 2-[methyl-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(3-pyridinylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

InChI

InChI=1S/C18H16N6O4/c1-23(14-8-4-3-7-13(14)18(25)28-2)17-15(24(26)27)16(20-11-21-17)22-12-6-5-9-19-10-12/h3-11H,1-2H3,(H,20,21,22)