3,7-dimethyl-1-[(E)-11-oxidanyldodec-1-enyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[(E)-11-oxidanyldodec-1-enyl]purine-2,6-dione Openeye Name: 1-[(E)-11-hydroxydodec-1-enyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(E)-11-hydroxydodec-1-enyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(E)-11-hydroxydodec-1-enyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[(E)-11-hydroxydodec-1-enyl]-3,7-dimethyl-xanthine Formula: C19H30N4O3 MolecularWeight: 362.4665

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCC=CN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCCCCC/C=C/N1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C19H30N4O3/c1-15(24)12-10-8-6-4-5-7-9-11-13-23-18(25)16-17(20-14-21(16)2)22(3)19(23)26/h11,13-15,24H,4-10,12H2,1-3H3/b13-11+