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

Systemtic Name: methyl 4-[[4-oxidanylidene-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[6-[2-(benzylamino)-2-oxo-ethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-oxo-6-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(benzylamino)-2-oxoethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[6-[2-(benzylamino)-2-keto-ethyl]-4-keto-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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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)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S/c1-29-21(28)17-9-7-16(8-10-17)14-30-22-24-18(12-20(27)25-22)11-19(26)23-13-15-5-3-2-4-6-15/h2-10,12H,11,13-14H2,1H3,(H,23,26)(H,24,25,27)