6-tert-butyl-3-methyl-2-prop-2-ynylsulfanyl-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-3-methyl-2-prop-2-ynylsulfanyl-pyrimidin-4-one Openeye Name: 6-tert-butyl-3-methyl-2-prop-2-ynylsulfanyl-pyrimidin-4-one CAS Name: 6-tert-butyl-3-methyl-2-(prop-2-ynylthio)-4-pyrimidinone IUPAC Name: 6-tert-butyl-3-methyl-2-prop-2-ynylsulfanylpyrimidin-4-one Traditional Name: 6-tert-butyl-3-methyl-2-(propargylthio)pyrimidin-4-one Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(C(=N1)SCC#C)C

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(C(=N1)SCC#C)C

InChI

InChI=1S/C12H16N2OS/c1-6-7-16-11-13-9(12(2,3)4)8-10(15)14(11)5/h1,8H,7H2,2-5H3