7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-xanthine Formula: C14H20ClN5O3 MolecularWeight: 341.7933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C14H20ClN5O3/c1-9(15)5-7-20-10-11(17-13(20)16-6-4-8-21)18(2)14(23)19(3)12(10)22/h5,21H,4,6-8H2,1-3H3,(H,16,17)/b9-5+