6-methyl-5-(2-oxidanylpropyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-oxidanylpropyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(2-hydroxypropyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 5-(2-hydroxypropyl)-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-(2-hydroxypropyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(2-hydroxypropyl)-6-methyl-1H-pyrimidin-4-one Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(C)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(C)O

InChI

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