methyl 4-[[4-oxidanylidene-6-[2-oxidanylidene-2-(phenethylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-6-[2-oxidanylidene-2-(phenethylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-oxo-6-[2-oxo-2-(phenethylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-oxo-6-[2-oxo-2-(phenethylamino)ethyl]-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-6-[2-oxo-2-(phenethylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-keto-6-[2-keto-2-(phenethylamino)ethyl]-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4S/c1-30-22(29)18-9-7-17(8-10-18)15-31-23-25-19(14-21(28)26-23)13-20(27)24-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13,15H2,1H3,(H,24,27)(H,25,26,28)