3-methyl-1-(6-methyl-6-oxidanyl-oct-7-ynyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(6-methyl-6-oxidanyl-oct-7-ynyl)-7-propyl-purine-2,6-dione Openeye Name: 1-(6-hydroxy-6-methyl-oct-7-ynyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-(6-hydroxy-6-methyloct-7-ynyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-(6-hydroxy-6-methyloct-7-ynyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(6-hydroxy-6-methyl-oct-7-ynyl)-3-methyl-7-propyl-xanthine Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC(C)(C#C)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC(C)(C#C)O

InChI

InChI=1S/C18H26N4O3/c1-5-11-21-13-19-15-14(21)16(23)22(17(24)20(15)4)12-9-7-8-10-18(3,25)6-2/h2,13,25H,5,7-12H2,1,3-4H3