8-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-3,4-dihydroisochromen-1-one

Systemtic Name: 8-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-3,4-dihydroisochromen-1-one Openeye Name: 8-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-isochroman-1-one CAS Name: 8-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 8-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methyl-3,4-dihydroisochromen-1-one Traditional Name: 8-[(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:

CC1CC2=C(C(=CC=C2)SC3=NC(=CC(=N3)C)C)C(=O)O1

Isomeric SMILES

CC1CC2=C(C(=CC=C2)SC3=NC(=CC(=N3)C)C)C(=O)O1

InChI

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