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

Systemtic Name: 7-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-methoxyphenyl)-5-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C30H30N5O+ MolecularWeight: 476.5921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N5O/c1-36-26-14-12-25(13-15-26)35-21-27(24-10-6-3-7-11-24)28-29(31-22-32-30(28)35)34-18-16-33(17-19-34)20-23-8-4-2-5-9-23/h2-15,21-22H,16-20H2,1H3/p+1