2-bromanyl-N-[6-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]propanamide

Systemtic Name: 2-bromanyl-N-[6-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]propanamide Openeye Name: 2-bromo-N-[6-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxo-1H-pyrimidin-2-yl]propanamide CAS Name: 2-bromo-N-[6-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxo-1H-pyrimidin-2-yl]propanamide IUPAC Name: 2-bromo-N-[6-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxo-1H-pyrimidin-2-yl]propanamide Traditional Name: 2-bromo-N-[6-butyl-5-[4-(2-cyanophenyl)benzyl]-4-keto-1H-pyrimidin-2-yl]propionamide Formula: C25H25BrN4O2 MolecularWeight: 493.3956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)NC(=O)C(C)Br)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)NC(=O)C(C)Br)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H25BrN4O2/c1-3-4-9-22-21(24(32)30-25(28-22)29-23(31)16(2)26)14-17-10-12-18(13-11-17)20-8-6-5-7-19(20)15-27/h5-8,10-13,16H,3-4,9,14H2,1-2H3,(H2,28,29,30,31,32)