[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H18N4O4S/c1-23-15(11-19(26)24(2)21(23)28)13-29-20(27)17-12-16(18-9-6-10-30-18)22-25(17)14-7-4-3-5-8-14/h3-12H,13H2,1-2H3