1-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-(azetidin-1-yl)-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-(1-azetidinyl)-2-oxoethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-(azetidin-1-yl)-2-oxoethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-(azetidin-1-yl)-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCC3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCC3

InChI

InChI=1S/C12H15N5O3/c1-14-7-13-10-9(14)11(19)17(12(20)15(10)2)6-8(18)16-4-3-5-16/h7H,3-6H2,1-2H3