8-nitro-3-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 8-nitro-3-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 3-benzyl-8-nitro-7H-purine-2,6-dione CAS Name: 8-nitro-3-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-benzyl-8-nitro-7H-purine-2,6-dione Traditional Name: 3-benzyl-8-nitro-7H-purine-2,6-quinone Formula: C12H9N5O4 MolecularWeight: 287.23096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O4/c18-10-8-9(14-11(13-8)17(20)21)16(12(19)15-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)(H,15,18,19)