5-[2-(3-methylbutylsulfanyl)ethyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[2-(3-methylbutylsulfanyl)ethyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzyl-4-hydroxy-5-(2-isopentylsulfanylethyl)-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[2-(3-methylbutylthio)ethyl]-2-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzyl-4-hydroxy-5-[2-(3-methylbutylsulfanyl)ethyl]-1H-pyrimidin-6-one Traditional Name: 2-benzyl-4-hydroxy-5-[2-(isoamylthio)ethyl]-1H-pyrimidin-6-one Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2S/c1-13(2)8-10-23-11-9-15-17(21)19-16(20-18(15)22)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,19,20,21,22)