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

Systemtic Name: 1,3-dimethyl-7-[(2S)-2-oxidanyl-3-[(phenylmethyl)amino]propyl]purine-2,6-dione Openeye Name: 7-[(2S)-3-(benzylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-[(phenylmethyl)amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-3-(benzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-3-(benzylamino)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNCC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](CNCC3=CC=CC=C3)O

InChI

InChI=1S/C17H21N5O3/c1-20-15-14(16(24)21(2)17(20)25)22(11-19-15)10-13(23)9-18-8-12-6-4-3-5-7-12/h3-7,11,13,18,23H,8-10H2,1-2H3/t13-/m0/s1