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

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-(3-pyridylmethyl)-2-[2-(2-thienylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one CAS Name: 5-(3-pyridinylmethyl)-2-[2-(thiophen-2-ylmethylthio)ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-(3-pyridylmethyl)-2-[2-(2-thenylthio)ethylamino]-1H-pyrimidin-6-one Formula: C17H18N4OS2 MolecularWeight: 358.48102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C17H18N4OS2/c22-16-14(9-13-3-1-5-18-10-13)11-20-17(21-16)19-6-8-23-12-15-4-2-7-24-15/h1-5,7,10-11H,6,8-9,12H2,(H2,19,20,21,22)