1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)-8-(piperidin-1-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-methyl-2-oxo-propyl)-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 7-(2-keto-1-methyl-propyl)-1,3-dimethyl-8-(piperidinomethyl)xanthine Formula: C17H25N5O3 MolecularWeight: 347.4121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3

Isomeric SMILES

CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3

InChI

InChI=1S/C17H25N5O3/c1-11(12(2)23)22-13(10-21-8-6-5-7-9-21)18-15-14(22)16(24)20(4)17(25)19(15)3/h11H,5-10H2,1-4H3