ethyl 6-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]hexanoate

Systemtic Name: ethyl 6-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]hexanoate Openeye Name: ethyl 6-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-1-yl]hexanoate CAS Name: 6-[4-oxo-5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-pyrimidinyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-1-yl]hexanoate Traditional Name: 6-[4-keto-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-1-yl]hexanoic acid ethyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

Isomeric SMILES

CCOC(=O)CCCCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

InChI

InChI=1S/C17H22N4O3S/c1-2-24-15(22)6-4-3-5-7-21-11-14(16(23)20-17(21)25)8-13-9-18-12-19-10-13/h9-12H,2-8H2,1H3,(H,20,23,25)