3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7-isopropyl-purine-2,6-dione CAS Name: 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7-isopropyl-xanthine Formula: C18H30N4O3 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCCC(C)(C)O)N(C=N2)C(C)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCCC(C)(C)O)N(C=N2)C(C)C

InChI

InChI=1S/C18H30N4O3/c1-6-20-15-14(22(12-19-15)13(2)3)16(23)21(17(20)24)11-9-7-8-10-18(4,5)25/h12-13,25H,6-11H2,1-5H3