8-chloranyl-7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(2,6-dimethylpiperidino)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C16H22ClN5O3 MolecularWeight: 367.83058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C16H22ClN5O3/c1-9-6-5-7-10(2)22(9)11(23)8-21-12-13(18-15(21)17)19(3)16(25)20(4)14(12)24/h9-10H,5-8H2,1-4H3