1,3-dimethyl-7-(4-oxidanylidenepentyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(4-oxidanylidenepentyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(4-oxopentyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(4-oxopentyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(4-oxopentyl)purine-2,6-dione Traditional Name: 7-(4-ketopentyl)-1,3-dimethyl-xanthine Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

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