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

Systemtic Name: 3,7-dimethyl-1-(7-oxidanylideneoctyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(7-oxooctyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(7-oxooctyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(7-oxooctyl)purine-2,6-dione Traditional Name: 1-(7-ketooctyl)-3,7-dimethyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C15H22N4O3/c1-11(20)8-6-4-5-7-9-19-14(21)12-13(16-10-17(12)2)18(3)15(19)22/h10H,4-9H2,1-3H3