pentyl (2R)-2-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: pentyl (2R)-2-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: pentyl (2R)-2-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoate CAS Name: (2R)-2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid pentyl ester IUPAC Name: pentyl (2R)-2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Traditional Name: (2R)-2-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionic acid amyl ester Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)C1=C(NC(=S)NC1=O)C

Isomeric SMILES

CCCCCOC(=O)[C@H](C)C1=C(NC(=S)NC1=O)C

InChI

InChI=1S/C13H20N2O3S/c1-4-5-6-7-18-12(17)8(2)10-9(3)14-13(19)15-11(10)16/h8H,4-7H2,1-3H3,(H2,14,15,16,19)/t8-/m1/s1