1-ethyl-6-oxidanyl-5-[(2S)-pentan-2-yl]-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 1-ethyl-6-oxidanyl-5-[(2S)-pentan-2-yl]-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-ethyl-6-hydroxy-5-[(1S)-1-methylbutyl]pyrimidin-4-one CAS Name: 1-ethyl-6-hydroxy-5-[(2S)-pentan-2-yl]-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-ethyl-6-hydroxy-5-[(2S)-pentan-2-yl]pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-ethyl-6-hydroxy-5-[(1S)-1-methylbutyl]pyrimidin-4-one Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(N(C(=NC1=O)SCC2=CC=CC=C2)CC)O

Isomeric SMILES

CCC[C@H](C)C1=C(N(C(=NC1=O)SCC2=CC=CC=C2)CC)O

InChI

InChI=1S/C18H24N2O2S/c1-4-9-13(3)15-16(21)19-18(20(5-2)17(15)22)23-12-14-10-7-6-8-11-14/h6-8,10-11,13,22H,4-5,9,12H2,1-3H3/t13-/m0/s1