methyl 6-methyl-2-pentyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-2-pentyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-2-pentyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-pentyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-pentyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 2-amyl-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=S)C(=C(N1)C)C(=O)OC

Isomeric SMILES

CCCCCC1=NC(=S)C(=C(N1)C)C(=O)OC

InChI

InChI=1S/C12H18N2O2S/c1-4-5-6-7-9-13-8(2)10(11(17)14-9)12(15)16-3/h4-7H2,1-3H3,(H,13,14,17)