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

Systemtic Name: 6-methyl-2-pentylsulfanyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-pentylsulfanyl-5-(phenoxymethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(pentylthio)-5-(phenoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-pentylsulfanyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-(amylthio)-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)COC2=CC=CC=C2

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)COC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2S/c1-3-4-8-11-22-17-18-13(2)15(16(20)19-17)12-21-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,18,19,20)