3-(3-imidazol-1-ylpropyl)-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-(3-imidazol-1-ylpropyl)-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-[3-(1-imidazolyl)propyl]-5,6-bis(4-methoxyphenyl)-4-furo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-(3-imidazol-1-ylpropyl)-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-(3-imidazol-1-ylpropyl)-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C26H26N5O3+ MolecularWeight: 456.51634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=C2C(=[N+](C=N3)CCCN4C=CN=C4)N)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=C2C(=[N+](C=N3)CCCN4C=CN=C4)N)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H25N5O3/c1-32-20-8-4-18(5-9-20)22-23-25(27)31(14-3-13-30-15-12-28-16-30)17-29-26(23)34-24(22)19-6-10-21(33-2)11-7-19/h4-12,15-17,27H,3,13-14H2,1-2H3/p+1