8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(4-phenethyl-1-piperidyl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(4-phenethyl-1-piperidinyl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(4-phenethylpiperidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(4-phenethylpiperidino)ethyl]-1,3-dimethyl-xanthine Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H26ClN5O3/c1-25-19-18(20(30)26(2)22(25)31)28(21(23)24-19)14-17(29)27-12-10-16(11-13-27)9-8-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3