2-[4-azanyl-7-(furan-2-ylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol

Systemtic Name: 2-[4-azanyl-7-(furan-2-ylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Openeye Name: 2-[4-amino-7-(2-furylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol CAS Name: 2-[4-amino-7-(2-furanylmethyl)-5,6-diphenyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethanol IUPAC Name: 2-[4-amino-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Traditional Name: 2-[4-amino-7-(2-furfuryl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Formula: C25H23N4O2+ MolecularWeight: 411.47572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C3=C2C(=[N+](C=N3)CCO)N)CC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C3=C2C(=[N+](C=N3)CCO)N)CC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2/c26-24-22-21(18-8-3-1-4-9-18)23(19-10-5-2-6-11-19)29(16-20-12-7-15-31-20)25(22)27-17-28(24)13-14-30/h1-12,15,17,26,30H,13-14,16H2/p+1