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

Systemtic Name: 3-methyl-1-(2-oxidanylidenepropyl)-7-propyl-purine-2,6-dione Openeye Name: 1-acetonyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-1-(2-oxopropyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-1-(2-oxopropyl)-7-propylpurine-2,6-dione Traditional Name: 1-acetonyl-3-methyl-7-propyl-xanthine Formula: C12H16N4O3 MolecularWeight: 264.28044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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