1-(2-pyridin-4-ylethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(2-pyridin-4-ylethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[2-(4-pyridyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(2-pyridin-4-ylethyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(2-pyridin-4-ylethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[2-(4-pyridyl)ethyl]-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

C1=CN=CC=C1CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C16H15N5OS/c22-15-14(7-13-8-18-11-19-9-13)10-21(16(23)20-15)6-3-12-1-4-17-5-2-12/h1-2,4-5,8-11H,3,6-7H2,(H,20,22,23)