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

Systemtic Name: 7-(3-methylphenyl)-5-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-methylphenyl)-5-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C30H30N5+ MolecularWeight: 460.5927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N5/c1-23-9-8-14-26(19-23)35-21-27(25-12-6-3-7-13-25)28-29(31-22-32-30(28)35)34-17-15-33(16-18-34)20-24-10-4-2-5-11-24/h2-14,19,21-22H,15-18,20H2,1H3/p+1