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

Systemtic Name: 5,7-bis(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-3-ium-3,4-diamine Openeye Name: 5,7-bis(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-3-ium-3,4-diamine CAS Name: 5,7-bis(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-3-ium-3,4-diamine IUPAC Name: 5,7-bis(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-3-ium-3,4-diamine Traditional Name: [3-amino-5,7-bis(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C18H14Cl2N5+ MolecularWeight: 371.24326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN(C3=C2C(=[N+](C=N3)N)N)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CN(C3=C2C(=[N+](C=N3)N)N)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H13Cl2N5/c19-12-3-1-11(2-4-12)15-9-24(14-7-5-13(20)6-8-14)18-16(15)17(21)25(22)10-23-18/h1-10,21H,22H2/p+1