methyl 2-[[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 2-[[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoate Openeye Name: methyl 2-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoate CAS Name: 2-[[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoate Traditional Name: 2-[[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H21N5O4/c1-4-7-13-11-17(26)23-20(21-13)25-16(10-12(2)24-25)22-18(27)14-8-5-6-9-15(14)19(28)29-3/h5-6,8-11H,4,7H2,1-3H3,(H,22,27)(H,21,23,26)