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

Systemtic Name: 7-(furan-2-ylmethyl)-3-(2-methylpropyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(2-furylmethyl)-3-isobutyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(2-furanylmethyl)-3-(2-methylpropyl)-5,6-diphenyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(furan-2-ylmethyl)-3-(2-methylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-(2-furfuryl)-3-isobutyl-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:

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

Isomeric SMILES

CC(C)C[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/c1-19(2)16-30-18-29-27-24(26(30)28)23(20-10-5-3-6-11-20)25(21-12-7-4-8-13-21)31(27)17-22-14-9-15-32-22/h3-15,18-19,28H,16-17H2,1-2H3/p+1