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

Systemtic Name: 3-(cyclopropylmethyl)-8-nitro-7H-purine-2,6-dione Openeye Name: 3-(cyclopropylmethyl)-8-nitro-7H-purine-2,6-dione CAS Name: 3-(cyclopropylmethyl)-8-nitro-7H-purine-2,6-dione IUPAC Name: 3-(cyclopropylmethyl)-8-nitro-7H-purine-2,6-dione Traditional Name: 3-(cyclopropylmethyl)-8-nitro-7H-purine-2,6-quinone Formula: C9H9N5O4 MolecularWeight: 251.19886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C(=O)NC2=O)NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1CC1CN2C3=C(C(=O)NC2=O)NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O4/c15-7-5-6(11-8(10-5)14(17)18)13(9(16)12-7)3-4-1-2-4/h4H,1-3H2,(H,10,11)(H,12,15,16)