methyl 2-[2-(diphenylmethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-(diphenylmethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-(2-benzhydrylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetate CAS Name: 2-[2-[(diphenylmethyl)thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-(2-benzhydrylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetate Traditional Name: 2-[2-(benzhydrylthio)-4-keto-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)SC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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