5,6-bis(4-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)furo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 5,6-bis(4-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)furo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-bis(4-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)furo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-bis(4-methoxyphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-4-furo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-bis(4-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)furo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-bis(4-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)furo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C27H32N4O4+2 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=C2C(=[N+](C=N3)CCC[NH+]4CCOCC4)N)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=C2C(=[N+](C=N3)CCC[NH+]4CCOCC4)N)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H30N4O4/c1-32-21-8-4-19(5-9-21)23-24-26(28)31(13-3-12-30-14-16-34-17-15-30)18-29-27(24)35-25(23)20-6-10-22(33-2)11-7-20/h4-11,18,28H,3,12-17H2,1-2H3/p+2