3,7-dimethyl-1-(12-oxidanyltridecyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(12-oxidanyltridecyl)purine-2,6-dione Openeye Name: 1-(12-hydroxytridecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(12-hydroxytridecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(12-hydroxytridecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(12-hydroxytridecyl)-3,7-dimethyl-xanthine Formula: C20H34N4O3 MolecularWeight: 378.50896

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C20H34N4O3/c1-16(25)13-11-9-7-5-4-6-8-10-12-14-24-19(26)17-18(21-15-22(17)2)23(3)20(24)27/h15-16,25H,4-14H2,1-3H3