7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione; 2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl)oxyethanoic acid

Systemtic Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione; 2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl)oxyethanoic acid Openeye Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione; 2-(7-hydroxy-4-methyl-2-oxo-chromen-6-yl)oxyacetic acid CAS Name: 7-(2-diethylaminoethyl)-1,3-dimethylpurine-2,6-dione; 2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-6-yl)oxy]acetic acid IUPAC Name: 7-(2-diethylaminoethyl)-1,3-dimethylpurine-2,6-dione; 2-(7-hydroxy-4-methyl-2-oxochromen-6-yl)oxyacetic acid Traditional Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-xanthine; 2-(7-hydroxy-2-keto-4-methyl-chromen-6-yl)oxyacetic acid Formula: C25H31N5O8 MolecularWeight: 529.54234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)O)O

Isomeric SMILES

CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)O)O

InChI

InChI=1S/C13H21N5O2.C12H10O6/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15/h9H,5-8H2,1-4H3;2-4,13H,5H2,1H3,(H,14,15)