N-(3-bromophenyl)-6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-6-[4-[(4-methylsulfonylphenyl)methyl]-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(3-bromophenyl)-6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Traditional Name: (3-bromophenyl)-[6-[4-(4-mesylbenzyl)piperazino]pyrimidin-4-yl]amine Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H24BrN5O2S/c1-31(29,30)20-7-5-17(6-8-20)15-27-9-11-28(12-10-27)22-14-21(24-16-25-22)26-19-4-2-3-18(23)13-19/h2-8,13-14,16H,9-12,15H2,1H3,(H,24,25,26)