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

Systemtic Name: 1-methyl-7-(2-oxidanylidenepropyl)-3H-purine-2,6-dione Openeye Name: 7-acetonyl-1-methyl-3H-purine-2,6-dione CAS Name: 1-methyl-7-(2-oxopropyl)-3H-purine-2,6-dione IUPAC Name: 1-methyl-7-(2-oxopropyl)-3H-purine-2,6-dione Traditional Name: 7-acetonyl-1-methyl-xanthine Formula: C9H10N4O3 MolecularWeight: 222.2007

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2)C

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2)C

InChI

InChI=1S/C9H10N4O3/c1-5(14)3-13-4-10-7-6(13)8(15)12(2)9(16)11-7/h4H,3H2,1-2H3,(H,11,16)