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

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-chloro-4-methylphenyl)-4-(4-ethyl-1-piperazin-4-iumyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-chloro-4-methylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3-chloro-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C25H27ClN5+ MolecularWeight: 432.96838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN5/c1-3-29-11-13-30(14-12-29)24-23-21(19-7-5-4-6-8-19)16-31(25(23)28-17-27-24)20-10-9-18(2)22(26)15-20/h4-10,15-17H,3,11-14H2,1-2H3/p+1