3,7-dimethyl-1-(9-oxidanyldecyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(9-oxidanyldecyl)purine-2,6-dione Openeye Name: 1-(9-hydroxydecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(9-hydroxydecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(9-hydroxydecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(9-hydroxydecyl)-3,7-dimethyl-xanthine Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C17H28N4O3/c1-13(22)10-8-6-4-5-7-9-11-21-16(23)14-15(18-12-19(14)2)20(3)17(21)24/h12-13,22H,4-11H2,1-3H3