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

Systemtic Name: 3,7-dimethyl-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-3,7-dimethyl-xanthine Formula: C10H12N4O3 MolecularWeight: 236.22728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C10H12N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5H,4H2,1-3H3