1-(3,5-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3,5-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3,5-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3,5-dimethylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3,5-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3,5-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C18H23N6+ MolecularWeight: 323.41542

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6/c1-13-8-14(2)10-15(9-13)24-18-16(11-21-24)17(19-12-20-18)23-6-4-22(3)5-7-23/h8-12H,4-7H2,1-3H3/p+1