3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenyl-furo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenyl-furo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenyl-furo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenyl-4-furo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenylfuro[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (3-homoveratryl-5,6-diphenyl-furo[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C28H26N3O3+ MolecularWeight: 452.52434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=C(C3=C(N=C2)OC(=C3C4=CC=CC=C4)C5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=C(C3=C(N=C2)OC(=C3C4=CC=CC=C4)C5=CC=CC=C5)N)OC

InChI

InChI=1S/C28H25N3O3/c1-32-22-14-13-19(17-23(22)33-2)15-16-31-18-30-28-25(27(31)29)24(20-9-5-3-6-10-20)26(34-28)21-11-7-4-8-12-21/h3-14,17-18,29H,15-16H2,1-2H3/p+1