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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCC1CCCCN1C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H22ClN5O3/c1-4-10-7-5-6-8-21(10)11(23)9-22-12-13(18-15(22)17)19(2)16(25)20(3)14(12)24/h10H,4-9H2,1-3H3