3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (7-benzyl-3-homoveratryl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C35H33N4O2+ MolecularWeight: 541.66212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=C(C3=C(N=C2)N(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=C(C3=C(N=C2)N(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6)N)OC

InChI

InChI=1S/C35H32N4O2/c1-40-29-19-18-25(22-30(29)41-2)20-21-38-24-37-35-32(34(38)36)31(27-14-8-4-9-15-27)33(28-16-10-5-11-17-28)39(35)23-26-12-6-3-7-13-26/h3-19,22,24,36H,20-21,23H2,1-2H3/p+1