8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-nonyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-3-methyl-7-nonyl-xanthine Formula: C22H37N5O2 MolecularWeight: 403.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N3CC(CC(C3)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N3CC(CC(C3)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H37N5O2/c1-5-6-7-8-9-10-11-12-27-18-19(25(4)22(29)24-20(18)28)23-21(27)26-14-16(2)13-17(3)15-26/h16-17H,5-15H2,1-4H3,(H,24,28,29)