8-[(2-ethylpiperidin-1-yl)methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(2-ethylpiperidin-1-yl)methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(2-ethyl-1-piperidyl)methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-ethyl-1-piperidinyl)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(2-ethylpiperidin-1-yl)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(2-ethylpiperidino)methyl]-7-heptyl-1,3-dimethyl-xanthine Formula: C22H37N5O2 MolecularWeight: 403.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3CC

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3CC

InChI

InChI=1S/C22H37N5O2/c1-5-7-8-9-11-15-27-18(16-26-14-12-10-13-17(26)6-2)23-20-19(27)21(28)25(4)22(29)24(20)3/h17H,5-16H2,1-4H3