8-(3-nitrophenyl)-2-propoxy-purin-6-one

Systemtic Name: 8-(3-nitrophenyl)-2-propoxy-purin-6-one Openeye Name: 8-(3-nitrophenyl)-2-propoxy-purin-6-one CAS Name: 8-(3-nitrophenyl)-2-propoxy-6-purinone IUPAC Name: 8-(3-nitrophenyl)-2-propoxypurin-6-one Traditional Name: 8-(3-nitrophenyl)-2-propoxy-purin-6-one Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=O)C2=NC(=NC2=N1)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=NC(=O)C2=NC(=NC2=N1)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O4/c1-2-6-23-14-17-12-10(13(20)18-14)15-11(16-12)8-4-3-5-9(7-8)19(21)22/h3-5,7H,2,6H2,1H3