2-[6-methyl-4-oxidanylidene-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-4-oxidanylidene-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(4-isopropylphenyl)-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-methyl-4-oxo-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-4-oxo-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-(4-keto-6-methyl-3-p-cumenyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=S)N1)C2=CC=C(C=C2)C(C)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=S)N1)C2=CC=C(C=C2)C(C)C)CC(=O)O

InChI

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