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

Systemtic Name: 1-(3-methylphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-(m-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-methylphenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-(m-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C23H25N6+ MolecularWeight: 385.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N6/c1-18-6-5-9-20(14-18)29-23-21(15-26-29)22(24-17-25-23)28-12-10-27(11-13-28)16-19-7-3-2-4-8-19/h2-9,14-15,17H,10-13,16H2,1H3/p+1