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

Systemtic Name: 7-[(2R)-3-chloranyl-2-oxidanyl-propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 7-[(2R)-3-chloro-2-hydroxy-propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-[(2R)-3-chloro-2-hydroxypropyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-[(2R)-3-chloro-2-hydroxypropyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-[(2R)-3-chloro-2-hydroxy-propyl]-1,3-dimethyl-8-nitro-xanthine Formula: C10H12ClN5O5 MolecularWeight: 317.68578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])C[C@H](CCl)O

InChI

InChI=1S/C10H12ClN5O5/c1-13-7-6(8(18)14(2)10(13)19)15(4-5(17)3-11)9(12-7)16(20)21/h5,17H,3-4H2,1-2H3/t5-/m0/s1