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

Systemtic Name: 4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]coumarin Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H16N2O3S/c1-13-9-18(14-5-3-2-4-6-14)23-21(22-13)27-12-15-10-20(25)26-19-11-16(24)7-8-17(15)19/h2-11,24H,12H2,1H3