N-[4-acetamido-5-[(E)-3-(4-chlorophenyl)but-1-enyl]-6-methyl-pyrimidin-2-yl]butanamide

Systemtic Name: N-[4-acetamido-5-[(E)-3-(4-chlorophenyl)but-1-enyl]-6-methyl-pyrimidin-2-yl]butanamide Openeye Name: N-[4-acetamido-5-[(E)-3-(4-chlorophenyl)but-1-enyl]-6-methyl-pyrimidin-2-yl]butanamide CAS Name: N-[4-acetamido-5-[(E)-3-(4-chlorophenyl)but-1-enyl]-6-methyl-2-pyrimidinyl]butanamide IUPAC Name: N-[4-acetamido-5-[(E)-3-(4-chlorophenyl)but-1-enyl]-6-methylpyrimidin-2-yl]butanamide Traditional Name: N-[4-acetamido-5-[(E)-3-(4-chlorophenyl)but-1-enyl]-6-methyl-pyrimidin-2-yl]butyramide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC(=C(C(=N1)NC(=O)C)C=CC(C)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCCC(=O)NC1=NC(=C(C(=N1)NC(=O)C)/C=C/C(C)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C21H25ClN4O2/c1-5-6-19(28)25-21-23-14(3)18(20(26-21)24-15(4)27)12-7-13(2)16-8-10-17(22)11-9-16/h7-13H,5-6H2,1-4H3,(H2,23,24,25,26,27,28)/b12-7+