1,7-dimethyl-8-(1-nitropropyl)-3H-purine-2,6-dione

Systemtic Name: 1,7-dimethyl-8-(1-nitropropyl)-3H-purine-2,6-dione Openeye Name: 1,7-dimethyl-8-(1-nitropropyl)-3H-purine-2,6-dione CAS Name: 1,7-dimethyl-8-(1-nitropropyl)-3H-purine-2,6-dione IUPAC Name: 1,7-dimethyl-8-(1-nitropropyl)-3H-purine-2,6-dione Traditional Name: 1,7-dimethyl-8-(1-nitropropyl)xanthine Formula: C10H13N5O4 MolecularWeight: 267.24132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1C)C(=O)N(C(=O)N2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=NC2=C(N1C)C(=O)N(C(=O)N2)C)[N+](=O)[O-]

InChI

InChI=1S/C10H13N5O4/c1-4-5(15(18)19)8-11-7-6(13(8)2)9(16)14(3)10(17)12-7/h5H,4H2,1-3H3,(H,12,17)