ethyl 2-butan-2-ylsulfanyl-4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-butan-2-ylsulfanyl-4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-benzyl-4-oxo-2-sec-butylsulfanyl-1H-pyrimidine-5-carboxylate CAS Name: 2-(butan-2-ylthio)-4-oxo-6-(phenylmethyl)-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-butan-2-ylsulfanyl-4-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 6-benzyl-4-keto-2-(sec-butylthio)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)C(=O)OCC

InChI

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