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

Systemtic Name: 1,3-dimethyl-7-octyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-octyl-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-octyl-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-octyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-octyl-8-(piperidinomethyl)xanthine Formula: C21H35N5O2 MolecularWeight: 389.5349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3

Isomeric SMILES

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3

InChI

InChI=1S/C21H35N5O2/c1-4-5-6-7-8-12-15-26-17(16-25-13-10-9-11-14-25)22-19-18(26)20(27)24(3)21(28)23(19)2/h4-16H2,1-3H3