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

Systemtic Name: 4-azanylidene-7-(4-chlorophenyl)-5-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine Openeye Name: 7-(4-chlorophenyl)-4-imino-5-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine CAS Name: 7-(4-chlorophenyl)-4-imino-5-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine IUPAC Name: 7-(4-chlorophenyl)-4-imino-5-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine Traditional Name: [7-(4-chlorophenyl)-4-imino-5-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)C2=C[N+](=C3C2C(=N)N(C=N3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C[N+](=C3C2C(=N)N(C=N3)N)C4=CC=C(C=C4)Cl

InChI

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