1,3-dimethyl-7-[2-[methyl-[(2R)-1-oxidanylbutan-2-yl]amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[methyl-[(2R)-1-oxidanylbutan-2-yl]amino]ethyl]purine-2,6-dione Openeye Name: 7-[2-[[(1R)-1-(hydroxymethyl)propyl]-methyl-amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[(2R)-1-hydroxybutan-2-yl]-methylamino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[(2R)-1-hydroxybutan-2-yl]-methylamino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[methyl-[(1R)-1-methylolpropyl]amino]ethyl]xanthine Formula: C14H23N5O3 MolecularWeight: 309.36412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N(C)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@H](CO)N(C)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H23N5O3/c1-5-10(8-20)16(2)6-7-19-9-15-12-11(19)13(21)18(4)14(22)17(12)3/h9-10,20H,5-8H2,1-4H3/t10-/m1/s1