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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=C(N=C2N3C(=CC(=N3)C)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=C(N=C2N3C(=CC(=N3)C)C)C)C

InChI

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