3-methyl-1,7-bis(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1,7-diacetonyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-1,7-bis(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-methyl-1,7-bis(2-oxopropyl)purine-2,6-dione Traditional Name: 1,7-diacetonyl-3-methyl-xanthine Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)C

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)C

InChI

InChI=1S/C12H14N4O4/c1-7(17)4-15-6-13-10-9(15)11(19)16(5-8(2)18)12(20)14(10)3/h6H,4-5H2,1-3H3