4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C20H22N2O2S/c1-11(2)16-9-17-15(8-20(23)24-18(17)6-12(16)3)10-25-19-7-13(4)21-14(5)22-19/h6-9,11H,10H2,1-5H3