methyl 5-hexadecyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 5-hexadecyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 5-hexadecyl-4-oxo-2-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 5-hexadecyl-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-hexadecyl-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 5-cetyl-4-keto-2-thioxo-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C22H38N2O3S MolecularWeight: 410.61372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)C(=O)OC

InChI

InChI=1S/C22H38N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21(26)27-2)23-22(28)24-20(18)25/h3-17H2,1-2H3,(H2,23,24,25,28)