3,7-dimethyl-8-(3-nitropropyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(3-nitropropyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(3-nitropropyl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(3-nitropropyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(3-nitropropyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-8-(3-nitropropyl)xanthine Formula: C10H13N5O4 MolecularWeight: 267.24132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)NC(=O)N2C)CCC[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC2=C1C(=O)NC(=O)N2C)CCC[N+](=O)[O-]

InChI

InChI=1S/C10H13N5O4/c1-13-6(4-3-5-15(18)19)11-8-7(13)9(16)12-10(17)14(8)2/h3-5H2,1-2H3,(H,12,16,17)