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

Systemtic Name: 3-(2-methylpropyl)-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-benzyl-3-isobutyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-(2-methylpropyl)-5,6-diphenyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-benzyl-3-(2-methylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (7-benzyl-3-isobutyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C29H29N4+ MolecularWeight: 433.56736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=C(C2=C(N=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5)N

Isomeric SMILES

CC(C)C[N+]1=C(C2=C(N=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5)N

InChI

InChI=1S/C29H28N4/c1-21(2)18-32-20-31-29-26(28(32)30)25(23-14-8-4-9-15-23)27(24-16-10-5-11-17-24)33(29)19-22-12-6-3-7-13-22/h3-17,20-21,30H,18-19H2,1-2H3/p+1