7-[(2S)-3-[bis(2-hydroxyethyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2S)-3-[bis(2-hydroxyethyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-3-[bis(2-hydroxyethyl)amino]-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-3-[bis(2-hydroxyethyl)amino]-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C14H23N5O5 MolecularWeight: 341.36292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CCO)CCO)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](CN(CCO)CCO)O

InChI

InChI=1S/C14H23N5O5/c1-16-12-11(13(23)17(2)14(16)24)19(9-15-12)8-10(22)7-18(3-5-20)4-6-21/h9-10,20-22H,3-8H2,1-2H3/t10-/m0/s1