1-(pyridin-3-ylmethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(pyridin-3-ylmethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(3-pyridylmethyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(3-pyridinylmethyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(pyridin-3-ylmethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(3-pyridylmethyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C15H13N5OS MolecularWeight: 311.36162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5OS/c21-14-13(4-12-6-17-10-18-7-12)9-20(15(22)19-14)8-11-2-1-3-16-5-11/h1-3,5-7,9-10H,4,8H2,(H,19,21,22)