4-azanylidene-5-(4-chlorophenyl)-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine

Systemtic Name: 4-azanylidene-5-(4-chlorophenyl)-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine Openeye Name: 5-(4-chlorophenyl)-4-imino-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine CAS Name: 5-(4-chlorophenyl)-4-imino-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine IUPAC Name: 5-(4-chlorophenyl)-4-imino-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine Traditional Name: [5-(4-chlorophenyl)-4-imino-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-yl]amine Formula: C18H15ClN5+ MolecularWeight: 336.7982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C3C(C(=C2)C4=CC=C(C=C4)Cl)C(=N)N(C=N3)N

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C3C(C(=C2)C4=CC=C(C=C4)Cl)C(=N)N(C=N3)N

InChI

InChI=1S/C18H15ClN5/c19-13-8-6-12(7-9-13)15-10-23(14-4-2-1-3-5-14)18-16(15)17(20)24(21)11-22-18/h1-11,16,20H,21H2/q+1