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

Systemtic Name: 7-[(2S)-3-[(2-methoxyphenyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-methoxyanilino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(2-methoxyanilino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(2-methoxyanilino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(o-anisidino)propyl]-1,3-dimethyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC=CC=C3OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](CNC3=CC=CC=C3OC)O

InChI

InChI=1S/C17H21N5O4/c1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)9-11(23)8-18-12-6-4-5-7-13(12)26-3/h4-7,10-11,18,23H,8-9H2,1-3H3/t11-/m0/s1