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

Systemtic Name: 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(2-furylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(2-furanylmethyl)-3-[2-(4-morpholin-4-iumyl)ethyl]-5,6-diphenyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(furan-2-ylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-(2-furfuryl)-3-(2-morpholin-4-ium-4-ylethyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C29H31N5O2+2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[N+]2=C(C3=C(N=C2)N(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CO6)N

Isomeric SMILES

C1COCC[NH+]1CC[N+]2=C(C3=C(N=C2)N(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CO6)N

InChI

InChI=1S/C29H29N5O2/c30-28-26-25(22-8-3-1-4-9-22)27(23-10-5-2-6-11-23)34(20-24-12-7-17-36-24)29(26)31-21-33(28)14-13-32-15-18-35-19-16-32/h1-12,17,21,30H,13-16,18-20H2/p+2