5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-amine

Systemtic Name: 5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-amine Openeye Name: 5-(4-chlorophenyl)-1-ethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-amine CAS Name: 5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-4-pyrrolo[2,3-d]pyrimidin-1-iumamine IUPAC Name: 5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-amine Traditional Name: [5-(4-chlorophenyl)-1-ethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-1-ium-4-yl]amine Formula: C21H20ClN4+ MolecularWeight: 363.8633

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=C(N=C1)N)C(=CN2C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC[N+]1=C2C(=C(N=C1)N)C(=CN2C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4/c1-3-25-13-24-20(23)19-18(15-6-8-16(22)9-7-15)12-26(21(19)25)17-10-4-14(2)5-11-17/h4-13,23H,3H2,1-2H3/p+1