1,3-dimethyl-7H-purine-2,6-dione; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 1,3-dimethyl-7H-purine-2,6-dione; 2-(2-hydroxyethylamino)ethanol Openeye Name: 1,3-dimethyl-7H-purine-2,6-dione; 2-(2-hydroxyethylamino)ethanol CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; 2-(2-hydroxyethylamino)ethanol Traditional Name: 2-(2-hydroxyethylamino)ethanol; theophylline Formula: C11H19N5O4 MolecularWeight: 285.29966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CO)NCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CO)NCCO

InChI

InChI=1S/C7H8N4O2.C4H11NO2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;6-3-1-5-2-4-7/h3H,1-2H3,(H,8,9);5-7H,1-4H2