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

Systemtic Name: 1-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H30N6O4/c1-23-14-22-18-17(23)20(30)27(21(31)24(18)2)13-16(28)25-11-7-15(8-12-25)19(29)26-9-5-3-4-6-10-26/h14-15H,3-13H2,1-2H3