3,7-dimethyl-1-[2-(3-oxidanylpropylamino)ethyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[2-(3-oxidanylpropylamino)ethyl]purine-2,6-dione Openeye Name: 1-[2-(3-hydroxypropylamino)ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-(3-hydroxypropylamino)ethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-(3-hydroxypropylamino)ethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-(3-hydroxypropylamino)ethyl]-3,7-dimethyl-xanthine Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCNCCCO

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCNCCCO

InChI

InChI=1S/C12H19N5O3/c1-15-8-14-10-9(15)11(19)17(12(20)16(10)2)6-5-13-4-3-7-18/h8,13,18H,3-7H2,1-2H3