3-(dimethylamino)-1,7-bis(1-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 3-(dimethylamino)-1,7-bis(1-oxidanylpropyl)purine-2,6-dione Openeye Name: 3-(dimethylamino)-1,7-bis(1-hydroxypropyl)purine-2,6-dione CAS Name: 3-(dimethylamino)-1,7-bis(1-hydroxypropyl)purine-2,6-dione IUPAC Name: 3-(dimethylamino)-1,7-bis(1-hydroxypropyl)purine-2,6-dione Traditional Name: 3-(dimethylamino)-1,7-bis(1-hydroxypropyl)xanthine Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=NC2=C1C(=O)N(C(=O)N2N(C)C)C(CC)O)O

Isomeric SMILES

CCC(N1C=NC2=C1C(=O)N(C(=O)N2N(C)C)C(CC)O)O

InChI

InChI=1S/C13H21N5O4/c1-5-8(19)16-7-14-11-10(16)12(21)17(9(20)6-2)13(22)18(11)15(3)4/h7-9,19-20H,5-6H2,1-4H3