6-methyl-2-phenacylsulfanyl-5-prop-2-enyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-phenacylsulfanyl-5-prop-2-enyl-1H-pyrimidin-4-one Openeye Name: 5-allyl-6-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(phenacylthio)-5-prop-2-enyl-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-phenacylsulfanyl-5-prop-2-enyl-1H-pyrimidin-4-one Traditional Name: 5-allyl-6-methyl-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-3-7-13-11(2)17-16(18-15(13)20)21-10-14(19)12-8-5-4-6-9-12/h3-6,8-9H,1,7,10H2,2H3,(H,17,18,20)