(4-bromophenyl)-[4-[6-[(4-methylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-[6-[(4-methylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-[6-(4-methylanilino)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-[6-(p-toluidino)pyrimidin-4-yl]piperazino]methanone Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC=NC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC=NC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN5O/c1-16-2-8-19(9-3-16)26-20-14-21(25-15-24-20)27-10-12-28(13-11-27)22(29)17-4-6-18(23)7-5-17/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)