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

Systemtic Name: 1,3-dimethyl-7-(2-oxidanylidenepropyl)-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 7-acetonyl-1,3-dimethyl-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-oxopropyl)-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-oxopropyl)-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 7-acetonyl-1,3-dimethyl-8-(piperidinomethyl)xanthine Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3

Isomeric SMILES

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3

InChI

InChI=1S/C16H23N5O3/c1-11(22)9-21-12(10-20-7-5-4-6-8-20)17-14-13(21)15(23)19(3)16(24)18(14)2/h4-10H2,1-3H3