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

Systemtic Name: 7-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-ethoxyphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O/c1-3-31-21-11-9-20(10-12-21)30-17-22(19-7-5-4-6-8-19)23-24(26-18-27-25(23)30)29-15-13-28(2)14-16-29/h4-12,17-18H,3,13-16H2,1-2H3/p+1