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

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[3-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propylamino]-1H-pyrimidin-6-one Openeye Name: 5-(3-pyridylmethyl)-2-[3-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propylamino]-1H-pyrimidin-6-one CAS Name: 5-(3-pyridinylmethyl)-2-[3-(1,2,5-thiadiazol-3-ylmethylthio)propylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[3-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propylamino]-1H-pyrimidin-6-one Traditional Name: 5-(3-pyridylmethyl)-2-[3-(1,2,5-thiadiazol-3-ylmethylthio)propylamino]-1H-pyrimidin-6-one Formula: C16H18N6OS2 MolecularWeight: 374.48372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=NSN=C3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=NSN=C3

InChI

InChI=1S/C16H18N6OS2/c23-15-13(7-12-3-1-4-17-8-12)9-19-16(21-15)18-5-2-6-24-11-14-10-20-25-22-14/h1,3-4,8-10H,2,5-7,11H2,(H2,18,19,21,23)