6-methyl-2-(3-methylbutylsulfanyl)-5-(phenoxymethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(3-methylbutylsulfanyl)-5-(phenoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-isopentylsulfanyl-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(3-methylbutylthio)-5-(phenoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-(3-methylbutylsulfanyl)-5-(phenoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-(isoamylthio)-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCC(C)C)COC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCC(C)C)COC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2S/c1-12(2)9-10-22-17-18-13(3)15(16(20)19-17)11-21-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,18,19,20)