N-(3-bromophenyl)-6-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-6-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-6-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-6-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(3-bromophenyl)-6-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidin-4-amine Traditional Name: (3-bromophenyl)-[6-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazino]pyrimidin-4-yl]amine Formula: C22H21BrClN5O2 MolecularWeight: 502.79144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2Cl)OCO3)C4=CC(=NC=N4)NC5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2Cl)OCO3)C4=CC(=NC=N4)NC5=CC(=CC=C5)Br

InChI

InChI=1S/C22H21BrClN5O2/c23-16-2-1-3-17(9-16)27-21-11-22(26-13-25-21)29-6-4-28(5-7-29)12-15-8-19-20(10-18(15)24)31-14-30-19/h1-3,8-11,13H,4-7,12,14H2,(H,25,26,27)