3,7-diethyl-1-(6-methyl-6-oxidanyl-heptyl)purine-2,6-dione

Systemtic Name: 3,7-diethyl-1-(6-methyl-6-oxidanyl-heptyl)purine-2,6-dione Openeye Name: 3,7-diethyl-1-(6-hydroxy-6-methyl-heptyl)purine-2,6-dione CAS Name: 3,7-diethyl-1-(6-hydroxy-6-methylheptyl)purine-2,6-dione IUPAC Name: 3,7-diethyl-1-(6-hydroxy-6-methylheptyl)purine-2,6-dione Traditional Name: 3,7-diethyl-1-(6-hydroxy-6-methyl-heptyl)xanthine Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCC(C)(C)O

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCC(C)(C)O

InChI

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