N-[2-(butanoylamino)-5-[3-(4-chlorophenyl)-3-methyl-but-1-ynyl]-6-methyl-pyrimidin-4-yl]butanamide

Systemtic Name: N-[2-(butanoylamino)-5-[3-(4-chlorophenyl)-3-methyl-but-1-ynyl]-6-methyl-pyrimidin-4-yl]butanamide Openeye Name: N-[2-(butanoylamino)-5-[3-(4-chlorophenyl)-3-methyl-but-1-ynyl]-6-methyl-pyrimidin-4-yl]butanamide CAS Name: N-[5-[3-(4-chlorophenyl)-3-methylbut-1-ynyl]-6-methyl-2-(1-oxobutylamino)-4-pyrimidinyl]butanamide IUPAC Name: N-[2-(butanoylamino)-5-[3-(4-chlorophenyl)-3-methylbut-1-ynyl]-6-methylpyrimidin-4-yl]butanamide Traditional Name: N-[2-butyramido-5-[3-(4-chlorophenyl)-3-methyl-but-1-ynyl]-6-methyl-pyrimidin-4-yl]butyramide Formula: C24H29ClN4O2 MolecularWeight: 440.96566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC(=NC(=C1C#CC(C)(C)C2=CC=C(C=C2)Cl)C)NC(=O)CCC

Isomeric SMILES

CCCC(=O)NC1=NC(=NC(=C1C#CC(C)(C)C2=CC=C(C=C2)Cl)C)NC(=O)CCC

InChI

InChI=1S/C24H29ClN4O2/c1-6-8-20(30)27-22-19(16(3)26-23(29-22)28-21(31)9-7-2)14-15-24(4,5)17-10-12-18(25)13-11-17/h10-13H,6-9H2,1-5H3,(H2,26,27,28,29,30,31)