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

Systemtic Name: 1-(phenylmethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-benzyl-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(phenylmethyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-benzyl-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-benzyl-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C16H14N4OS MolecularWeight: 310.37356

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4OS/c21-15-14(6-13-7-17-11-18-8-13)10-20(16(22)19-15)9-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2,(H,19,21,22)