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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=O)CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

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