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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chloro-4-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C17H20ClN6+ MolecularWeight: 343.8339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)C)Cl

InChI

InChI=1S/C17H19ClN6/c1-12-3-4-13(9-15(12)18)24-17-14(10-21-24)16(19-11-20-17)23-7-5-22(2)6-8-23/h3-4,9-11H,5-8H2,1-2H3/p+1