3-[4-azanyl-7-(furan-2-ylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol

Systemtic Name: 3-[4-azanyl-7-(furan-2-ylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Openeye Name: 3-[4-amino-7-(2-furylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol CAS Name: 3-[4-amino-7-(2-furanylmethyl)-5,6-diphenyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]-1-propanol IUPAC Name: 3-[4-amino-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Traditional Name: 3-[4-amino-7-(2-furfuryl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Formula: C26H25N4O2+ MolecularWeight: 425.5023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O2/c27-25-23-22(19-9-3-1-4-10-19)24(20-11-5-2-6-12-20)30(17-21-13-7-16-32-21)26(23)28-18-29(25)14-8-15-31/h1-7,9-13,16,18,27,31H,8,14-15,17H2/p+1