butyl 4-[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(2-chlorophenyl)methylthio]-4-methyl-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(2-chlorobenzyl)thio]-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]benzoic acid butyl ester Formula: C25H26ClN3O4S MolecularWeight: 500.00964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C

InChI

InChI=1S/C25H26ClN3O4S/c1-3-4-13-33-24(32)18-9-11-20(12-10-18)28-22(30)15-29-23(31)14-17(2)27-25(29)34-16-19-7-5-6-8-21(19)26/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,28,30)