tert-butyl 4-(4-fluoranyl-3-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 4-(4-fluoranyl-3-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-(4-fluoro-3-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-fluoro-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-fluoro-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-fluoro-3-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C17H21FN2O4 MolecularWeight: 336.358043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)F)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)F)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H21FN2O4/c1-9-13(15(21)24-17(2,3)4)14(20-16(22)19-9)10-6-7-11(18)12(8-10)23-5/h6-8,14H,1-5H3,(H2,19,20,22)