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

Systemtic Name: 3,7-bis(furan-2-ylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3,7-bis(2-furylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3,7-bis(2-furanylmethyl)-5,6-diphenyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3,7-bis(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3,7-bis(2-furfuryl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C28H23N4O2+ MolecularWeight: 447.50782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C3=C2C(=[N+](C=N3)CC4=CC=CO4)N)CC5=CC=CO5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C3=C2C(=[N+](C=N3)CC4=CC=CO4)N)CC5=CC=CO5)C6=CC=CC=C6

InChI

InChI=1S/C28H22N4O2/c29-27-25-24(20-9-3-1-4-10-20)26(21-11-5-2-6-12-21)32(18-23-14-8-16-34-23)28(25)30-19-31(27)17-22-13-7-15-33-22/h1-16,19,29H,17-18H2/p+1