tert-butyl 6-methyl-2-oxidanylidene-4-phenacylsulfanyl-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 6-methyl-2-oxidanylidene-4-phenacylsulfanyl-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 6-methyl-2-oxo-4-phenacylsulfanyl-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-(phenacylthio)-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-methyl-2-oxo-4-phenacylsulfanyl-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(phenacylthio)-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-11-14(16(22)24-18(2,3)4)15(20-17(23)19-11)25-10-13(21)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,19,20,23)