1-methyl-7-(5-oxidanylidenehexyl)-3H-purine-2,6-dione

Systemtic Name: 1-methyl-7-(5-oxidanylidenehexyl)-3H-purine-2,6-dione Openeye Name: 1-methyl-7-(5-oxohexyl)-3H-purine-2,6-dione CAS Name: 1-methyl-7-(5-oxohexyl)-3H-purine-2,6-dione IUPAC Name: 1-methyl-7-(5-oxohexyl)-3H-purine-2,6-dione Traditional Name: 7-(5-ketohexyl)-1-methyl-xanthine Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2)C

Isomeric SMILES

CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2)C

InChI

InChI=1S/C12H16N4O3/c1-8(17)5-3-4-6-16-7-13-10-9(16)11(18)15(2)12(19)14-10/h7H,3-6H2,1-2H3,(H,14,19)