2-(phenylmethylsulfanyl)-5-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one CAS Name: 2-(phenylmethylthio)-5-(2-pyrazinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one Formula: C16H14N4OS MolecularWeight: 310.37356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)CC3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)CC3=NC=CN=C3

InChI

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