8-methyl-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 8-methyl-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]coumarin Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C22H18N2O3S/c1-13-10-18(15-6-4-3-5-7-15)24-22(23-13)28-12-16-11-20(26)27-21-14(2)19(25)9-8-17(16)21/h3-11,25H,12H2,1-2H3