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

Systemtic Name: 7-(2-hydroxyethyl)-1-methyl-3-propyl-purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-1-methyl-3-propyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-1-methyl-3-propylpurine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-1-methyl-3-propylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-1-methyl-3-propyl-xanthine Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO

InChI

InChI=1S/C11H16N4O3/c1-3-4-15-9-8(10(17)13(2)11(15)18)14(5-6-16)7-12-9/h7,16H,3-6H2,1-2H3