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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C3=C2N=C[N+](=C3N)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C3=C2N=C[N+](=C3N)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H14ClN5/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/h1-11,20H,21H2/p+1