methyl 6-methyl-2-(4-propan-2-ylphenyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-2-(4-propan-2-ylphenyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-(4-isopropylphenyl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-(4-propan-2-ylphenyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-(4-propan-2-ylphenyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-p-cumenyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-9(2)11-5-7-12(8-6-11)14-17-10(3)13(15(21)18-14)16(19)20-4/h5-9H,1-4H3,(H,17,18,21)