butyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: butyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoic acid butyl ester Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4/c1-3-4-9-29-18(26)14-5-7-15(8-6-14)22-17-10-13(2)21-19(23-17)24-12-16(11-20-24)25(27)28/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,22,23)