9-[1-(4-nitrophenyl)ethyl]-3H-purin-6-one

Systemtic Name: 9-[1-(4-nitrophenyl)ethyl]-3H-purin-6-one Openeye Name: 9-[1-(4-nitrophenyl)ethyl]-3H-purin-6-one CAS Name: 9-[1-(4-nitrophenyl)ethyl]-3H-purin-6-one IUPAC Name: 9-[1-(4-nitrophenyl)ethyl]-3H-purin-6-one Traditional Name: 9-[1-(4-nitrophenyl)ethyl]-3H-purin-6-one Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C13H11N5O3/c1-8(9-2-4-10(5-3-9)18(20)21)17-7-16-11-12(17)14-6-15-13(11)19/h2-8H,1H3,(H,14,15,19)