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

Systemtic Name: ethyl 1-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]cyclopropane-1-carboxylate Openeye Name: ethyl 1-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-1-yl]cyclopropanecarboxylate CAS Name: 1-[4-oxo-5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-pyrimidinyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-1-yl]cyclopropane-1-carboxylate Traditional Name: 1-[4-keto-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-1-yl]cyclopropanecarboxylic acid ethyl ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

CCOC(=O)C1(CC1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C15H16N4O3S/c1-2-22-13(21)15(3-4-15)19-8-11(12(20)18-14(19)23)5-10-6-16-9-17-7-10/h6-9H,2-5H2,1H3,(H,18,20,23)