N-(3-chlorophenyl)-6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-chlorophenyl)-6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-chlorophenyl)-6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(3-chlorophenyl)-6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-chlorophenyl)-6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-chlorophenyl)-[6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C18H12ClN5O2 MolecularWeight: 365.77318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC3=C(N2)N=CN=C3NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC3=C(N2)N=CN=C3NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H12ClN5O2/c19-12-4-2-5-13(8-12)22-17-15-9-16(23-18(15)21-10-20-17)11-3-1-6-14(7-11)24(25)26/h1-10H,(H2,20,21,22,23)