octyl 3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: octyl 3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: octyl 3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid octyl ester IUPAC Name: octyl 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionic acid octyl ester Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC1=C(NC(=S)NC1=O)C

Isomeric SMILES

CCCCCCCCOC(=O)CCC1=C(NC(=S)NC1=O)C

InChI

InChI=1S/C16H26N2O3S/c1-3-4-5-6-7-8-11-21-14(19)10-9-13-12(2)17-16(22)18-15(13)20/h3-11H2,1-2H3,(H2,17,18,20,22)