5-(pyridin-3-ylmethyl)-2-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidine-6-thione

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidine-6-thione Openeye Name: 2-[2-(isothiazol-3-ylmethylsulfanyl)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidine-6-thione CAS Name: 2-[2-(3-isothiazolylmethylthio)ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidine-6-thione IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidine-6-thione Traditional Name: 2-[2-(isothiazol-3-ylmethylthio)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidine-6-thione Formula: C16H17N5S3 MolecularWeight: 375.53468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=S)NCCSCC3=NSC=C3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=S)NCCSCC3=NSC=C3

InChI

InChI=1S/C16H17N5S3/c22-15-13(8-12-2-1-4-17-9-12)10-19-16(20-15)18-5-7-23-11-14-3-6-24-21-14/h1-4,6,9-10H,5,7-8,11H2,(H2,18,19,20,22)