2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=CN=CN3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=CN=CN3

InChI

InChI=1S/C16H18N6OS/c23-15-13(6-12-2-1-3-17-7-12)8-20-16(22-15)19-4-5-24-10-14-9-18-11-21-14/h1-3,7-9,11H,4-6,10H2,(H,18,21)(H2,19,20,22,23)