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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

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