ethyl 3-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]benzoate

Systemtic Name: ethyl 3-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]benzoate Openeye Name: ethyl 3-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-1-yl]benzoate CAS Name: 3-[4-oxo-5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-1-yl]benzoate Traditional Name: 3-[4-keto-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-1-yl]benzoic acid ethyl ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C18H16N4O3S/c1-2-25-17(24)13-4-3-5-15(7-13)22-10-14(16(23)21-18(22)26)6-12-8-19-11-20-9-12/h3-5,7-11H,2,6H2,1H3,(H,21,23,26)