1,3-dimethyl-7-[4-oxidanylidene-4-(4-phenylpiperidin-1-yl)butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[4-oxidanylidene-4-(4-phenylpiperidin-1-yl)butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-oxo-4-(4-phenyl-1-piperidyl)butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-oxo-4-(4-phenyl-1-piperidinyl)butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]purine-2,6-dione Traditional Name: 7-[4-keto-4-(4-phenylpiperidino)butyl]-1,3-dimethyl-xanthine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-24-20-19(21(29)25(2)22(24)30)27(15-23-20)12-6-9-18(28)26-13-10-17(11-14-26)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3