ethyl 2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: 2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenylacetate Traditional Name: 2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H20N2O4S/c1-2-27-20(26)17(15-11-7-4-8-12-15)28-21-22-18(24)16(19(25)23-21)13-14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3,(H2,22,23,24,25)