3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 3-methylpurin-6-amine

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 3-methylpurin-6-amine Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 3-methylpurin-6-amine CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 3-methyl-6-purinamine IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 3-methylpurin-6-amine Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; (3-methylpurin-6-yl)amine Formula: C16H13Cl2N7O2 MolecularWeight: 406.22612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C2C1=NC=N2)N.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

Isomeric SMILES

CN1C=NC(=C2C1=NC=N2)N.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

InChI

InChI=1S/C10H6Cl2N2O2.C6H7N5/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-11-3-10-5(7)4-6(11)9-2-8-4/h1-5,13H;2-3H,7H2,1H3