1-[2-(2-methoxyphenyl)-4-methyl-6-prop-2-ynylsulfanyl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[2-(2-methoxyphenyl)-4-methyl-6-prop-2-ynylsulfanyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[2-(2-methoxyphenyl)-4-methyl-6-prop-2-ynylsulfanyl-pyrimidin-5-yl]ethanone CAS Name: 1-[2-(2-methoxyphenyl)-4-methyl-6-(prop-2-ynylthio)-5-pyrimidinyl]ethanone IUPAC Name: 1-[2-(2-methoxyphenyl)-4-methyl-6-prop-2-ynylsulfanylpyrimidin-5-yl]ethanone Traditional Name: 1-[2-(2-methoxyphenyl)-4-methyl-6-(propargylthio)pyrimidin-5-yl]ethanone Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2OC)SCC#C)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2OC)SCC#C)C(=O)C

InChI

InChI=1S/C17H16N2O2S/c1-5-10-22-17-15(12(3)20)11(2)18-16(19-17)13-8-6-7-9-14(13)21-4/h1,6-9H,10H2,2-4H3