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

Systemtic Name: ethyl 2-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]propanoate Openeye Name: ethyl 2-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-1-yl]propanoate CAS Name: 2-[4-oxo-5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-pyrimidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-1-yl]propanoate Traditional Name: 2-[4-keto-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-1-yl]propionic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C=C(C(=O)NC1=S)CC2=CN=CN=C2

Isomeric SMILES

CCOC(=O)C(C)N1C=C(C(=O)NC1=S)CC2=CN=CN=C2

InChI

InChI=1S/C14H16N4O3S/c1-3-21-13(20)9(2)18-7-11(12(19)17-14(18)22)4-10-5-15-8-16-6-10/h5-9H,3-4H2,1-2H3,(H,17,19,22)