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

Systemtic Name: 2-[3-(1H-imidazol-2-ylsulfanyl)propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[3-(1H-imidazol-2-ylsulfanyl)propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[3-(1H-imidazol-2-ylthio)propylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[3-(1H-imidazol-2-ylsulfanyl)propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[3-(1H-imidazol-2-ylthio)propylamino]-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)NCCCSC3=NC=CN3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSC3=NC=CN3

InChI

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