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

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 7-(3,3-dimethyl-2-oxo-butyl)-1,3-dimethyl-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 7-(2-keto-3,3-dimethyl-butyl)-1,3-dimethyl-8-(piperidinomethyl)xanthine Formula: C19H29N5O3 MolecularWeight: 375.46526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O3/c1-19(2,3)13(25)11-24-14(12-23-9-7-6-8-10-23)20-16-15(24)17(26)22(5)18(27)21(16)4/h6-12H2,1-5H3