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

Systemtic Name: 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(2-furylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(2-furanylmethyl)-3-[3-(4-morpholin-4-iumyl)propyl]-5,6-diphenyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(furan-2-ylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-(2-furfuryl)-3-(3-morpholin-4-ium-4-ylpropyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C30H33N5O2+2 MolecularWeight: 495.61532

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H31N5O2/c31-29-27-26(23-9-3-1-4-10-23)28(24-11-5-2-6-12-24)35(21-25-13-7-18-37-25)30(27)32-22-34(29)15-8-14-33-16-19-36-20-17-33/h1-7,9-13,18,22,31H,8,14-17,19-21H2/p+2