7-(furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 7-(furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(2-furylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(2-furanylmethyl)-3-[3-(1-imidazolyl)propyl]-5,6-diphenyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-(2-furfuryl)-3-(3-imidazol-1-ylpropyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C29H27N6O+ MolecularWeight: 475.56428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C3=C2C(=[N+](C=N3)CCCN4C=CN=C4)N)CC5=CC=CO5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C3=C2C(=[N+](C=N3)CCCN4C=CN=C4)N)CC5=CC=CO5)C6=CC=CC=C6

InChI

InChI=1S/C29H26N6O/c30-28-26-25(22-9-3-1-4-10-22)27(23-11-5-2-6-12-23)35(19-24-13-7-18-36-24)29(26)32-21-34(28)16-8-15-33-17-14-31-20-33/h1-7,9-14,17-18,20-21,30H,8,15-16,19H2/p+1