5-[(4-bromophenyl)methyl]-6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-bromophenyl)methyl]-6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-6-methyl-2-(4-methyl-1-piperazin-4-iumyl)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-bromophenyl)methyl]-6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C17H22BrN4O+ MolecularWeight: 378.28678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H21BrN4O/c1-12-15(11-13-3-5-14(18)6-4-13)16(23)20-17(19-12)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H,19,20,23)/p+1