1-(4,8-dimethyl-7-oxidanyl-nonyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(4,8-dimethyl-7-oxidanyl-nonyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(7-hydroxy-4,8-dimethyl-nonyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(7-hydroxy-4,8-dimethylnonyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(7-hydroxy-4,8-dimethylnonyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(7-hydroxy-4,8-dimethyl-nonyl)-3,7-dimethyl-xanthine Formula: C18H30N4O3 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(C)C(CCC(C)CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C18H30N4O3/c1-12(2)14(23)9-8-13(3)7-6-10-22-17(24)15-16(19-11-20(15)4)21(5)18(22)25/h11-14,23H,6-10H2,1-5H3