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

Systemtic Name: ethyl 2-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-1-yl]acetate CAS Name: 2-[4-oxo-5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-1-yl]acetate Traditional Name: 2-[4-keto-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-1-yl]acetic acid ethyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

Isomeric SMILES

CCOC(=O)CN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

InChI

InChI=1S/C13H14N4O3S/c1-2-20-11(18)7-17-6-10(12(19)16-13(17)21)3-9-4-14-8-15-5-9/h4-6,8H,2-3,7H2,1H3,(H,16,19,21)