3-[(2-methylsulfanylpyrimidin-5-yl)-(4-phenylphenyl)methyl]chromene-2,4-dione

Systemtic Name: 3-[(2-methylsulfanylpyrimidin-5-yl)-(4-phenylphenyl)methyl]chromene-2,4-dione Openeye Name: 3-[(2-methylsulfanylpyrimidin-5-yl)-(4-phenylphenyl)methyl]chromane-2,4-dione CAS Name: 3-[[2-(methylthio)-5-pyrimidinyl]-(4-phenylphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-[(2-methylsulfanylpyrimidin-5-yl)-(4-phenylphenyl)methyl]chromene-2,4-dione Traditional Name: 3-[[2-(methylthio)pyrimidin-5-yl]-(4-phenylphenyl)methyl]chroman-2,4-quinone Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C(C2C(=O)C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC=C(C=N1)C(C2C(=O)C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O3S/c1-33-27-28-15-20(16-29-27)23(19-13-11-18(12-14-19)17-7-3-2-4-8-17)24-25(30)21-9-5-6-10-22(21)32-26(24)31/h2-16,23-24H,1H3