methyl 4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[(4-tert-butylphenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[(4-tert-butylbenzyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC=C(C=C2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC=C(C=C2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C18H22N2O3S/c1-11-14(16(21)23-5)15(20-17(22)19-11)24-10-12-6-8-13(9-7-12)18(2,3)4/h6-9H,10H2,1-5H3,(H,19,20,22)