6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(4-bromophenyl)vinyl]-5-isopentyl-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 6-[(E)-2-(4-bromophenyl)vinyl]-5-isoamyl-2-methyl-1H-pyrimidin-4-one Formula: C18H21BrN2O MolecularWeight: 361.27614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC=C(C=C2)Br)CCC(C)C

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=C(C=C2)Br)CCC(C)C

InChI

InChI=1S/C18H21BrN2O/c1-12(2)4-10-16-17(20-13(3)21-18(16)22)11-7-14-5-8-15(19)9-6-14/h5-9,11-12H,4,10H2,1-3H3,(H,20,21,22)/b11-7+