6-methyl-2-phenacylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-phenacylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 5-isopropyl-6-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(phenacylthio)-5-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-phenacylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 5-isopropyl-6-methyl-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-10(2)14-11(3)17-16(18-15(14)20)21-9-13(19)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,18,20)