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

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

CCC1=C(N2C(=C(C(=N2)C)C3=CC=CC=C3)N=C1C)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=C(N2C(=C(C(=N2)C)C3=CC=CC=C3)N=C1C)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

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