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

Systemtic Name: 7-methoxy-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-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(=C4)OC

Isomeric SMILES

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

InChI

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