1,3-dimethyl-8-(3-oxidanylpropylamino)-7-phenethyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-oxidanylpropylamino)-7-phenethyl-purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-phenethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CCC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3/c1-21-15-14(16(25)22(2)18(21)26)23(17(20-15)19-10-6-12-24)11-9-13-7-4-3-5-8-13/h3-5,7-8,24H,6,9-12H2,1-2H3,(H,19,20)