N-[6-[(E)-4-cyanobut-1-enyl]-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]ethanamide

Systemtic Name: N-[6-[(E)-4-cyanobut-1-enyl]-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]ethanamide Openeye Name: N-[6-[(E)-4-cyanobut-1-enyl]-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide CAS Name: N-[6-[(E)-4-cyanobut-1-enyl]-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide IUPAC Name: N-[6-[(E)-4-cyanobut-1-enyl]-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide Traditional Name: N-[6-[(E)-4-cyanobut-1-enyl]-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C(=C(N1)C=CCCC#N)CCCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NC(=O)C(=C(N1)/C=C/CCC#N)CCCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N4O2/c1-16(26)23-21-24-19(14-6-3-9-15-22)18(20(27)25-21)13-8-7-12-17-10-4-2-5-11-17/h2,4-6,10-11,14H,3,7-9,12-13H2,1H3,(H2,23,24,25,26,27)/b14-6+