1-dodecanoyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-dodecanoyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-dodecanoyl-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-(1-oxododecyl)purine-2,6-dione IUPAC Name: 1-dodecanoyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-lauroyl-3,7-dimethyl-xanthine Formula: C19H30N4O3 MolecularWeight: 362.4665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C19H30N4O3/c1-4-5-6-7-8-9-10-11-12-13-15(24)23-18(25)16-17(20-14-21(16)2)22(3)19(23)26/h14H,4-13H2,1-3H3