9-[2-(2,4-dinitrophenyl)ethyl]-3H-purin-6-one

Systemtic Name: 9-[2-(2,4-dinitrophenyl)ethyl]-3H-purin-6-one Openeye Name: 9-[2-(2,4-dinitrophenyl)ethyl]-3H-purin-6-one CAS Name: 9-[2-(2,4-dinitrophenyl)ethyl]-3H-purin-6-one IUPAC Name: 9-[2-(2,4-dinitrophenyl)ethyl]-3H-purin-6-one Traditional Name: 9-[2-(2,4-dinitrophenyl)ethyl]-3H-purin-6-one Formula: C13H10N6O5 MolecularWeight: 330.2557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCN2C=NC3=C2NC=NC3=O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C13H10N6O5/c20-13-11-12(14-6-15-13)17(7-16-11)4-3-8-1-2-9(18(21)22)5-10(8)19(23)24/h1-2,5-7H,3-4H2,(H,14,15,20)