7-(2-hydroxyethyl)-8-(3-methoxypropylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-8-(3-methoxypropylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-8-(3-methoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-8-(3-methoxypropylamino)-3-methyl-xanthine Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CCO

InChI

InChI=1S/C12H19N5O4/c1-16-9-8(10(19)15-12(16)20)17(5-6-18)11(14-9)13-4-3-7-21-2/h18H,3-7H2,1-2H3,(H,13,14)(H,15,19,20)