methyl 2-heptan-3-yl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-heptan-3-yl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-(1-ethylpentyl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 2-heptan-3-yl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-heptan-3-yl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 2-(1-ethylpentyl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H22N2O2S MolecularWeight: 282.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=NC(=S)C(=C(N1)C)C(=O)OC

Isomeric SMILES

CCCCC(CC)C1=NC(=S)C(=C(N1)C)C(=O)OC

InChI

InChI=1S/C14H22N2O2S/c1-5-7-8-10(6-2)12-15-9(3)11(13(19)16-12)14(17)18-4/h10H,5-8H2,1-4H3,(H,15,16,19)