2-azanyl-3H-purine-6,8-dione; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 2-azanyl-3H-purine-6,8-dione; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 2-amino-3H-purine-6,8-dione; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: 2-amino-3H-purine-6,8-dione; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: 2-amino-3H-purine-6,8-dione; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: 2-amino-3H-purine-6,8-quinone; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C15H9Cl2N7O4 MolecularWeight: 422.18246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl.C12=NC(=O)N=C1NC(=NC2=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl.C12=NC(=O)N=C1NC(=NC2=O)N

InChI

InChI=1S/C10H6Cl2N2O2.C5H3N5O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;6-4-8-2-1(3(11)10-4)7-5(12)9-2/h1-5,13H;(H3,6,8,9,10,11,12)