1-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-1-(m-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-1-(m-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C17H21N6+ MolecularWeight: 309.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6/c1-13-4-3-5-14(10-13)23-17-15(11-20-23)16(18-12-19-17)22-8-6-21(2)7-9-22/h3-5,10-12H,6-9H2,1-2H3/p+1