[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(3,5-dimethoxy-4-methyl-phenyl)methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(3,5-dimethoxy-4-methyl-phenyl)methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3,5-dimethoxy-4-methyl-phenyl)methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-(3,5-dimethoxy-4-methylphenyl)methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-(3,5-dimethoxy-4-methyl-phenyl)methanone Formula: C18H21BrN4O3 MolecularWeight: 421.28834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OC

InChI

InChI=1S/C18H21BrN4O3/c1-12-15(25-2)8-13(9-16(12)26-3)17(24)22-4-6-23(7-5-22)18-20-10-14(19)11-21-18/h8-11H,4-7H2,1-3H3