5-(2-ethylsulfanylethyl)-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-(2-ethylsulfanylethyl)-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzyl-5-(2-ethylsulfanylethyl)-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[2-(ethylthio)ethyl]-4-hydroxy-2-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzyl-5-(2-ethylsulfanylethyl)-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-benzyl-5-[2-(ethylthio)ethyl]-4-hydroxy-1H-pyrimidin-6-one Formula: C15H18N2O2S MolecularWeight: 290.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

Isomeric SMILES

CCSCCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C15H18N2O2S/c1-2-20-9-8-12-14(18)16-13(17-15(12)19)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,16,17,18,19)