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

Systemtic Name: 5,6-diphenyl-3,7-bis(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3,7-dibenzyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-diphenyl-3,7-bis(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3,7-dibenzyl-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (3,7-dibenzyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C32H27N4+ MolecularWeight: 467.58358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C2N=C[N+](=C3N)CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C2N=C[N+](=C3N)CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H26N4/c33-31-29-28(26-17-9-3-10-18-26)30(27-19-11-4-12-20-27)36(22-25-15-7-2-8-16-25)32(29)34-23-35(31)21-24-13-5-1-6-14-24/h1-20,23,33H,21-22H2/p+1