1,3-dimethyl-9-(5-nitropyridin-2-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-(5-nitropyridin-2-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-9-(5-nitro-2-pyridyl)purine-2,6-dione CAS Name: 1,3-dimethyl-9-(5-nitro-2-pyridinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-(5-nitropyridin-2-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-9-(5-nitro-2-pyridyl)xanthine Formula: C12H10N6O4 MolecularWeight: 302.2456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O4/c1-15-10-9(11(19)16(2)12(15)20)14-6-17(10)8-4-3-7(5-13-8)18(21)22/h3-6H,1-2H3