butyl 3-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: butyl 3-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: butyl 3-[[2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid butyl ester Formula: C30H29N3O4S MolecularWeight: 527.63396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H29N3O4S/c1-2-3-17-37-29(36)24-15-10-16-25(18-24)31-27(34)20-33-28(35)19-26(23-13-8-5-9-14-23)32-30(33)38-21-22-11-6-4-7-12-22/h4-16,18-19H,2-3,17,20-21H2,1H3,(H,31,34)