1-[(2-fluorophenyl)methyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-[(2-fluorophenyl)methyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[(2-fluorophenyl)methyl]-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-[(2-fluorophenyl)methyl]-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[(2-fluorophenyl)methyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(2-fluorobenzyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C16H13FN4OS MolecularWeight: 328.364023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C(=O)NC2=S)CC3=CN=CN=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C(=O)NC2=S)CC3=CN=CN=C3)F

InChI

InChI=1S/C16H13FN4OS/c17-14-4-2-1-3-12(14)8-21-9-13(15(22)20-16(21)23)5-11-6-18-10-19-7-11/h1-4,6-7,9-10H,5,8H2,(H,20,22,23)