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

Systemtic Name: methyl 4-[[4-oxidanylidene-6-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-oxo-6-[2-oxo-2-(2-thienylmethylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-oxo-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-keto-6-[2-keto-2-(2-thenylamino)ethyl]-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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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=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H19N3O4S2/c1-27-19(26)14-6-4-13(5-7-14)12-29-20-22-15(10-18(25)23-20)9-17(24)21-11-16-3-2-8-28-16/h2-8,10H,9,11-12H2,1H3,(H,21,24)(H,22,23,25)