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

Systemtic Name: 1,3-dimethyl-7-pentyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-pentyl-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-pentyl-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-pentyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 7-amyl-1,3-dimethyl-8-(piperidinomethyl)xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3

InChI

InChI=1S/C18H29N5O2/c1-4-5-7-12-23-14(13-22-10-8-6-9-11-22)19-16-15(23)17(24)21(3)18(25)20(16)2/h4-13H2,1-3H3