1,3,8-trimethyl-7-oxidanylidene-8-propan-2-yl-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3,8-trimethyl-7-oxidanylidene-8-propan-2-yl-9H-purin-7-ium-2,6-dione Openeye Name: 8-isopropyl-1,3,8-trimethyl-7-oxo-9H-purin-7-ium-2,6-dione CAS Name: 1,3,8-trimethyl-7-oxo-8-propan-2-yl-9H-purin-7-ium-2,6-dione IUPAC Name: 1,3,8-trimethyl-7-oxo-8-propan-2-yl-9H-purin-7-ium-2,6-dione Traditional Name: 8-isopropyl-7-keto-1,3,8-trimethyl-9H-purin-7-ium-2,6-quinone Formula: C11H17N4O3+ MolecularWeight: 253.27768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(NC2=C([N+]1=O)C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

CC(C)C1(NC2=C([N+]1=O)C(=O)N(C(=O)N2C)C)C

InChI

InChI=1S/C11H16N4O3/c1-6(2)11(3)12-8-7(15(11)18)9(16)14(5)10(17)13(8)4/h6H,1-5H3/p+1