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

Systemtic Name: 1,3-dimethyl-7-tetradecyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-tetradecyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-tetradecylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-tetradecylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-myristyl-xanthine Formula: C21H36N4O2 MolecularWeight: 376.53614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H36N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-17-22-19-18(25)20(26)24(3)21(27)23(19)2/h17H,4-16H2,1-3H3