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

Systemtic Name: 3-methyl-1-(2-methyl-3-oxidanyl-butyl)-7-propyl-purine-2,6-dione Openeye Name: 1-(3-hydroxy-2-methyl-butyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-(3-hydroxy-2-methylbutyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-(3-hydroxy-2-methylbutyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(3-hydroxy-2-methyl-butyl)-3-methyl-7-propyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O3/c1-5-6-17-8-15-12-11(17)13(20)18(14(21)16(12)4)7-9(2)10(3)19/h8-10,19H,5-7H2,1-4H3