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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CC(C)C(C)O)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CC(C)C(C)O)N(C1=O)C

InChI

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