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

Systemtic Name: 1,3-dimethyl-7-[4-oxidanylidene-4-(2-oxidanylidenepiperidin-1-yl)butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-oxo-4-(2-oxo-1-piperidyl)butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-oxo-4-(2-oxo-1-piperidinyl)butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-oxo-4-(2-oxopiperidin-1-yl)butyl]purine-2,6-dione Traditional Name: 7-[4-keto-4-(2-ketopiperidino)butyl]-1,3-dimethyl-xanthine Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCCCC3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCCCC3=O

InChI

InChI=1S/C16H21N5O4/c1-18-14-13(15(24)19(2)16(18)25)20(10-17-14)8-5-7-12(23)21-9-4-3-6-11(21)22/h10H,3-9H2,1-2H3