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

Systemtic Name: 3-methyl-1-(4-methyl-4-oxidanyl-pentyl)-7-propyl-purine-2,6-dione Openeye Name: 1-(4-hydroxy-4-methyl-pentyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-(4-hydroxy-4-methylpentyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-(4-hydroxy-4-methylpentyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(4-hydroxy-4-methyl-pentyl)-3-methyl-7-propyl-xanthine Formula: C15H24N4O3 MolecularWeight: 308.37606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(C)(C)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(C)(C)O

InChI

InChI=1S/C15H24N4O3/c1-5-8-18-10-16-12-11(18)13(20)19(14(21)17(12)4)9-6-7-15(2,3)22/h10,22H,5-9H2,1-4H3