[4-(6-azanyl-7H-purin-8-yl)phenyl]-(4-nitrophenyl)methanone

Systemtic Name: [4-(6-azanyl-7H-purin-8-yl)phenyl]-(4-nitrophenyl)methanone Openeye Name: [4-(6-amino-7H-purin-8-yl)phenyl]-(4-nitrophenyl)methanone CAS Name: [4-(6-amino-7H-purin-8-yl)phenyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(6-amino-7H-purin-8-yl)phenyl]-(4-nitrophenyl)methanone Traditional Name: [4-(6-amino-7H-purin-8-yl)phenyl]-(4-nitrophenyl)methanone Formula: C18H12N6O3 MolecularWeight: 360.32628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C(=NC=N3)N)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C(=NC=N3)N)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O3/c19-16-14-18(21-9-20-16)23-17(22-14)12-3-1-10(2-4-12)15(25)11-5-7-13(8-6-11)24(26)27/h1-9H,(H3,19,20,21,22,23)