8-(ethylamino)-1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 8-(ethylamino)-1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCNC1=NC2=C(N1C[C@H](COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H23N5O4/c1-4-19-17-20-15-14(16(25)22(3)18(26)21(15)2)23(17)10-12(24)11-27-13-8-6-5-7-9-13/h5-9,12,24H,4,10-11H2,1-3H3,(H,19,20)/t12-/m1/s1