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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

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