3-methyl-1-(3-methyl-3-oxidanyl-pent-4-ynyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(3-methyl-3-oxidanyl-pent-4-ynyl)-7-propyl-purine-2,6-dione Openeye Name: 1-(3-hydroxy-3-methyl-pent-4-ynyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-(3-hydroxy-3-methylpent-4-ynyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-(3-hydroxy-3-methylpent-4-ynyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(3-hydroxy-3-methyl-pent-4-ynyl)-3-methyl-7-propyl-xanthine Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3/c1-5-8-18-10-16-12-11(18)13(20)19(14(21)17(12)4)9-7-15(3,22)6-2/h2,10,22H,5,7-9H2,1,3-4H3