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

Systemtic Name: 7-(4-ethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-ethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-ethoxyphenyl)-4-(4-ethyl-1-piperazin-4-iumyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-ethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)OCC)C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)OCC)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O/c1-3-29-14-16-30(17-15-29)25-24-23(20-8-6-5-7-9-20)18-31(26(24)28-19-27-25)21-10-12-22(13-11-21)32-4-2/h5-13,18-19H,3-4,14-17H2,1-2H3/p+1