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

Systemtic Name: 5,7-diphenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5,7-diphenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 5,7-diphenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5,7-diphenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5,7-diphenyl-pyrrolo[2,3-d]pyrimidine Formula: C29H28N5+ MolecularWeight: 446.56612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C(=CN4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C(=CN4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H27N5/c1-4-10-23(11-5-1)20-32-16-18-33(19-17-32)28-27-26(24-12-6-2-7-13-24)21-34(29(27)31-22-30-28)25-14-8-3-9-15-25/h1-15,21-22H,16-20H2/p+1