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

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-butyl-7-(2-furylmethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-butyl-7-(2-furanylmethyl)-5,6-diphenyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-butyl-7-(2-furfuryl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=C(N=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CO5)N

Isomeric SMILES

CCCC[N+]1=C(C2=C(N=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CO5)N

InChI

InChI=1S/C27H26N4O/c1-2-3-16-30-19-29-27-24(26(30)28)23(20-11-6-4-7-12-20)25(21-13-8-5-9-14-21)31(27)18-22-15-10-17-32-22/h4-15,17,19,28H,2-3,16,18H2,1H3/p+1