6-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 6-chloro-4-(4-methyl-1-piperazin-4-iumyl)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C16H18ClN6+ MolecularWeight: 329.80732

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C16H17ClN6/c1-21-7-9-22(10-8-21)14-13-11-18-23(12-5-3-2-4-6-12)15(13)20-16(17)19-14/h2-6,11H,7-10H2,1H3/p+1