ethyl 4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(3-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c1-3-29-19(26)13-6-8-14(9-7-13)23-17-15(25(27)28)18(22-11-21-17)24-16-12(2)5-4-10-20-16/h4-11H,3H2,1-2H3,(H2,20,21,22,23,24)