N-(4-butylphenyl)-2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-butylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]-N-(4-butylphenyl)acetamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O2S/c1-2-3-10-22-15-17-25(18-16-22)30-27(33)20-32-28(34)19-26(24-13-8-5-9-14-24)31-29(32)35-21-23-11-6-4-7-12-23/h4-9,11-19H,2-3,10,20-21H2,1H3,(H,30,33)