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

Systemtic Name: 3-butyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-benzyl-3-butyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-butyl-5,6-diphenyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-benzyl-3-butyl-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (7-benzyl-3-butyl-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:

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

Isomeric SMILES

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