7-(4-ethylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-(4-ethylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 6-benzyl-7-(4-ethylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(4-ethyl-1-piperazin-4-iumyl)-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 6-benzyl-7-(4-ethylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-benzyl-7-(4-ethylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C27H32N5+ MolecularWeight: 426.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NC3=C(C(=NN32)C)C4=CC=CC=C4)C)CC5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NC3=C(C(=NN32)C)C4=CC=CC=C4)C)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5/c1-4-30-15-17-31(18-16-30)27-24(19-22-11-7-5-8-12-22)20(2)28-26-25(21(3)29-32(26)27)23-13-9-6-10-14-23/h5-14H,4,15-19H2,1-3H3/p+1