6-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 6-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: 6-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 6-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 6-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-4-N-phenylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazino]pyrimidin-4-yl]-phenyl-amine Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN6O2/c23-17-11-19-18(30-14-31-19)10-15(17)13-28-6-8-29(9-7-28)21-12-20(26-22(24)27-21)25-16-4-2-1-3-5-16/h1-5,10-12H,6-9,13-14H2,(H3,24,25,26,27)