methyl 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxidanylidene-4-propyl-pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxidanylidene-4-propyl-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propyl-pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-(3,5-dimethyl-1-pyrazolyl)-6-oxo-4-propyl-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-keto-4-propyl-pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N(C(=N1)N2C(=CC(=N2)C)C)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N(C(=N1)N2C(=CC(=N2)C)C)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N5O4/c1-5-6-18-12-20(29)26(22(24-18)27-15(3)11-14(2)25-27)13-19(28)23-17-9-7-16(8-10-17)21(30)31-4/h7-12H,5-6,13H2,1-4H3,(H,23,28)