butyl 4-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(3-methoxyphenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-2-(m-anisylthio)-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]benzoic acid butyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)OC)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C26H29N3O5S/c1-4-5-13-34-25(32)19-9-11-20(12-10-19)28-23(30)15-22-17(2)27-26(29-24(22)31)35-16-18-7-6-8-21(14-18)33-3/h6-12,14H,4-5,13,15-16H2,1-3H3,(H,28,30)(H,27,29,31)