methyl 6-methyl-2-[(2S)-pentan-2-yl]-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-2-[(2S)-pentan-2-yl]-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-2-[(1S)-1-methylbutyl]-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-[(2S)-pentan-2-yl]-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(2S)-pentan-2-yl]-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-[(1S)-1-methylbutyl]-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC(=S)C(=C(N1)C)C(=O)OC

Isomeric SMILES

CCC[C@H](C)C1=NC(=S)C(=C(N1)C)C(=O)OC

InChI

InChI=1S/C12H18N2O2S/c1-5-6-7(2)10-13-8(3)9(11(17)14-10)12(15)16-4/h7H,5-6H2,1-4H3,(H,13,14,17)/t7-/m0/s1