2-butan-2-ylsulfanyl-4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-butan-2-ylsulfanyl-4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-benzyl-4-oxo-2-sec-butylsulfanyl-1H-pyrimidine-5-carboxylic acid CAS Name: 2-(butan-2-ylthio)-4-oxo-6-(phenylmethyl)-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-benzyl-2-butan-2-ylsulfanyl-4-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-benzyl-4-keto-2-(sec-butylthio)-1H-pyrimidine-5-carboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-3-10(2)22-16-17-12(9-11-7-5-4-6-8-11)13(15(20)21)14(19)18-16/h4-8,10H,3,9H2,1-2H3,(H,20,21)(H,17,18,19)