3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-4H-isochromen-1-one

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-4H-isochromen-1-one Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-isochroman-1-one CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-4H-isochromen-1-one Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-3-methyl-isochroman-1-one Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2(CC3=CC=CC=C3C(=O)O2)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2(CC3=CC=CC=C3C(=O)O2)C)C

InChI

InChI=1S/C16H16N2O2S/c1-10-8-11(2)18-15(17-10)21-16(3)9-12-6-4-5-7-13(12)14(19)20-16/h4-8H,9H2,1-3H3