3-[1-(2-hydroxyethyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]pentane-2,4-dione

Systemtic Name: 3-[1-(2-hydroxyethyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]pentane-2,4-dione Openeye Name: 3-[1-(2-hydroxyethyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]pentane-2,4-dione CAS Name: 3-[1-(2-hydroxyethyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]pentane-2,4-dione IUPAC Name: 3-[1-(2-hydroxyethyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]pentane-2,4-dione Traditional Name: 3-[1-(2-hydroxyethyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]pentane-2,4-dione Formula: C12H14N4O4 MolecularWeight: 278.26396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)N1C=NC2=C(C1=O)C=NN2CCO

Isomeric SMILES

CC(=O)C(C(=O)C)N1C=NC2=C(C1=O)C=NN2CCO

InChI

InChI=1S/C12H14N4O4/c1-7(18)10(8(2)19)15-6-13-11-9(12(15)20)5-14-16(11)3-4-17/h5-6,10,17H,3-4H2,1-2H3