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

Systemtic Name: ethyl 4-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]butanoate Openeye Name: ethyl 4-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-1-yl]butanoate CAS Name: 4-[4-oxo-5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-1-yl]butanoate Traditional Name: 4-[4-keto-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-1-yl]butyric acid ethyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

InChI

InChI=1S/C15H18N4O3S/c1-2-22-13(20)4-3-5-19-9-12(14(21)18-15(19)23)6-11-7-16-10-17-8-11/h7-10H,2-6H2,1H3,(H,18,21,23)