methyl 4-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-1-yl]cyclohexanecarboxylate CAS Name: 4-[4-oxo-5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-pyrimidinyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-oxo-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-1-yl]cyclohexane-1-carboxylate Traditional Name: 4-[4-keto-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-1-yl]cyclohexanecarboxylic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

COC(=O)C1CCC(CC1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C17H20N4O3S/c1-24-16(23)12-2-4-14(5-3-12)21-9-13(15(22)20-17(21)25)6-11-7-18-10-19-8-11/h7-10,12,14H,2-6H2,1H3,(H,20,22,25)