N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-2-(2-oxidanylidenepyrimidin-1-yl)ethanamide

Systemtic Name: N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-2-(2-oxidanylidenepyrimidin-1-yl)ethanamide Openeye Name: 2-(2-oxopyrimidin-1-yl)-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]acetamide CAS Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-(2-oxo-1-pyrimidinyl)acetamide IUPAC Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrimidin-1-yl)acetamide Traditional Name: 2-(2-ketopyrimidin-1-yl)-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C=CC=NC3=O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C=CC=NC3=O

InChI

InChI=1S/C21H23N3O2S/c1-3-15(2)16-7-9-17(10-8-16)20(18-6-4-13-27-18)23-19(25)14-24-12-5-11-22-21(24)26/h4-13,15,20H,3,14H2,1-2H3,(H,23,25)