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

Systemtic Name: 2-[3-(1H-imidazol-5-ylmethylsulfanyl)propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[3-(1H-imidazol-5-ylmethylsulfanyl)propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[3-(1H-imidazol-5-ylmethylthio)propylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[3-(1H-imidazol-5-ylmethylsulfanyl)propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[3-(1H-imidazol-5-ylmethylthio)propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=CN=CN3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=CN=CN3

InChI

InChI=1S/C17H20N6OS/c24-16-14(7-13-3-1-4-18-8-13)9-21-17(23-16)20-5-2-6-25-11-15-10-19-12-22-15/h1,3-4,8-10,12H,2,5-7,11H2,(H,19,22)(H2,20,21,23,24)