7-(4-ethoxyphenyl)-5-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrolo[2,3-d]pyrimidine

Systemtic Name: 7-(4-ethoxyphenyl)-5-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-ethoxyphenyl)-5-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C31H32N5O+ MolecularWeight: 490.61868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H31N5O/c1-2-37-27-15-13-26(14-16-27)36-22-28(25-11-7-4-8-12-25)29-30(32-23-33-31(29)36)35-19-17-34(18-20-35)21-24-9-5-3-6-10-24/h3-16,22-23H,2,17-21H2,1H3/p+1