7-[(2R)-3-chloranyl-2-oxidanyl-propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[(2R)-3-chloranyl-2-oxidanyl-propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[(2R)-3-chloro-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-3-chloro-2-hydroxypropyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(2R)-3-chloro-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[(2R)-3-chloro-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)C[C@H](CCl)O

InChI

InChI=1S/C17H20ClN5O3/c1-21-14-13(15(25)22(2)17(21)26)23(10-12(24)8-18)16(20-14)19-9-11-6-4-3-5-7-11/h3-7,12,24H,8-10H2,1-2H3,(H,19,20)/t12-/m0/s1