1,3-dimethyl-8-propan-2-yl-purin-3-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-8-propan-2-yl-purin-3-ium-2,6-dione Openeye Name: 8-isopropyl-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 1,3-dimethyl-8-propan-2-ylpurin-3-ium-2,6-dione IUPAC Name: 1,3-dimethyl-8-propan-2-ylpurin-3-ium-2,6-dione Traditional Name: 8-isopropyl-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C10H13N4O2+ MolecularWeight: 221.23582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C

Isomeric SMILES

CC(C)C1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C

InChI

InChI=1S/C10H13N4O2/c1-5(2)7-11-6-8(12-7)13(3)10(16)14(4)9(6)15/h5H,1-4H3/q+1