3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(4-methyl-1-piperazin-4-iumyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)C)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)C)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H27N5O2/c1-14-12-19(25-10-8-24(3)9-11-25)26-21(22-14)20(15(2)23-26)16-6-7-17(27-4)18(13-16)28-5/h6-7,12-13H,8-11H2,1-5H3/p+1