methyl 2-[4-oxidanylidene-2-[(4-phenylphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(4-phenylphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(4-phenylphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[(4-phenylphenyl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(4-phenylphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[(4-phenylbenzyl)thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-25-19(24)12-17-11-18(23)22-20(21-17)26-13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,21,22,23)