3,7-dimethyl-1-tridec-12-enyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-tridec-12-enyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-1-tridec-12-enyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-tridec-12-enylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-1-tridec-12-enylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-tridec-12-enyl-xanthine Formula: C20H32N4O2 MolecularWeight: 360.49368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCC=C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCC=C

InChI

InChI=1S/C20H32N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-24-19(25)17-18(21-16-22(17)2)23(3)20(24)26/h4,16H,1,5-15H2,2-3H3