3,7-dimethyl-1-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]-3,7-dimethyl-xanthine Formula: C21H23N7O4 MolecularWeight: 437.45182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C21H23N7O4/c1-24-12-22-18-17(24)19(30)27(21(32)25(18)2)11-16(29)26-9-7-13(8-10-26)28-15-6-4-3-5-14(15)23-20(28)31/h3-6,12-13H,7-11H2,1-2H3,(H,23,31)