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

Systemtic Name: N-(4-butylphenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(4-butylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(4-butylphenyl)acetamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O2S/c1-2-3-7-17-10-12-19(13-11-17)24-21(27)14-20-15-22(28)26-23(25-20)29-16-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14,16H2,1H3,(H,24,27)(H,25,26,28)