2-methylpropyl 4-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(2-chloro-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[(2-chloropyridin-3-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H19ClN6O4 MolecularWeight: 442.85566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN6O4/c1-12(2)10-31-20(28)13-5-7-14(8-6-13)25-18-16(27(29)30)19(24-11-23-18)26-15-4-3-9-22-17(15)21/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25,26)