1,3-dimethyl-8-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(1S)-2-hydroxy-1-phenylethyl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[(1S)-2-hydroxy-1-phenylethyl]amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-1,3-dimethyl-xanthine Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC(CO)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N[C@H](CO)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3/c1-25-19-18(20(29)26(2)22(25)30)27(13-15-9-5-3-6-10-15)21(24-19)23-17(14-28)16-11-7-4-8-12-16/h3-12,17,28H,13-14H2,1-2H3,(H,23,24)/t17-/m1/s1