ethyl 2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoate Openeye Name: ethyl 2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetate CAS Name: 2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetate Traditional Name: 2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]acetic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C=C(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C(=O)C=C(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-2-26-20(25)14-23-19(24)13-18(17-11-7-4-8-12-17)22-21(23)27-15-16-9-5-3-6-10-16/h3-13H,2,14-15H2,1H3