3,7-dimethyl-1-(10-oxidanylideneundecyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(10-oxidanylideneundecyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(10-oxoundecyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(10-oxoundecyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(10-oxoundecyl)purine-2,6-dione Traditional Name: 1-(10-ketoundecyl)-3,7-dimethyl-xanthine Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C18H28N4O3/c1-14(23)11-9-7-5-4-6-8-10-12-22-17(24)15-16(19-13-20(15)2)21(3)18(22)25/h13H,4-12H2,1-3H3