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

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-chloro-4-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3-chloro-4-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C24H25ClN5+ MolecularWeight: 418.9418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)C)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)C)C5=CC=CC=C5)Cl

InChI

InChI=1S/C24H24ClN5/c1-17-8-9-19(14-21(17)25)30-15-20(18-6-4-3-5-7-18)22-23(26-16-27-24(22)30)29-12-10-28(2)11-13-29/h3-9,14-16H,10-13H2,1-2H3/p+1