1-(4-oxidanylcyclohexyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(4-oxidanylcyclohexyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(4-hydroxycyclohexyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(4-hydroxycyclohexyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(4-hydroxycyclohexyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(4-hydroxycyclohexyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C=C(C(=O)NC2=S)CC3=CN=CN=C3)O

Isomeric SMILES

C1CC(CCC1N2C=C(C(=O)NC2=S)CC3=CN=CN=C3)O

InChI

InChI=1S/C15H18N4O2S/c20-13-3-1-12(2-4-13)19-8-11(14(21)18-15(19)22)5-10-6-16-9-17-7-10/h6-9,12-13,20H,1-5H2,(H,18,21,22)