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

Systemtic Name: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-(2-furylmethylsulfanyl)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-(2-furanylmethylthio)ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-(2-furfurylthio)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C17H18N4O2S MolecularWeight: 342.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CO3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C17H18N4O2S/c22-16-14(9-13-3-1-5-18-10-13)11-20-17(21-16)19-6-8-24-12-15-4-2-7-23-15/h1-5,7,10-11H,6,8-9,12H2,(H2,19,20,21,22)