methyl 2-[2-[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[4-(butanoylamino)phenyl]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[4-(butanoylamino)phenyl]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(4-butyramidophenyl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C19H21N3O5S/c1-3-4-16(24)20-13-7-5-12(6-8-13)15(23)11-28-19-21-14(9-17(25)22-19)10-18(26)27-2/h5-9H,3-4,10-11H2,1-2H3,(H,20,24)(H,21,22,25)