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

Systemtic Name: 7-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C24H26N5+ MolecularWeight: 384.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5/c1-18-7-6-10-20(15-18)29-16-21(19-8-4-3-5-9-19)22-23(25-17-26-24(22)29)28-13-11-27(2)12-14-28/h3-10,15-17H,11-14H2,1-2H3/p+1