3-methyl-7-[2-[(2S)-oxan-2-yl]oxyethyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[2-[(2S)-oxan-2-yl]oxyethyl]purine-2,6-dione Openeye Name: 3-methyl-7-[2-[(2S)-tetrahydropyran-2-yl]oxyethyl]purine-2,6-dione CAS Name: 3-methyl-7-[2-[[(2S)-2-oxanyl]oxy]ethyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[2-[(2S)-oxan-2-yl]oxyethyl]purine-2,6-dione Traditional Name: 3-methyl-7-[2-[(2S)-tetrahydropyran-2-yl]oxyethyl]xanthine Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCOC3CCCCO3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCO[C@H]3CCCCO3

InChI

InChI=1S/C13H18N4O4/c1-16-11-10(12(18)15-13(16)19)17(8-14-11)5-7-21-9-4-2-3-6-20-9/h8-9H,2-7H2,1H3,(H,15,18,19)/t9-/m0/s1