3-methylbutyl 2-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate

Systemtic Name: 3-methylbutyl 2-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate Openeye Name: isopentyl 2-(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)hexanoate CAS Name: 2-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate Traditional Name: 2-(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)hexanoic acid isoamyl ester Formula: C15H24N2O4S MolecularWeight: 328.42706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(NC(=S)NC1=O)O)C(=O)OCCC(C)C

Isomeric SMILES

CCCCC(C1=C(NC(=S)NC1=O)O)C(=O)OCCC(C)C

InChI

InChI=1S/C15H24N2O4S/c1-4-5-6-10(14(20)21-8-7-9(2)3)11-12(18)16-15(22)17-13(11)19/h9-10H,4-8H2,1-3H3,(H3,16,17,18,19,22)