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

Systemtic Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-phenethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c1-20-14-13(15(24)21(2)17(20)25)22(16(19-14)18-9-11-23)10-8-12-6-4-3-5-7-12/h3-7,23H,8-11H2,1-2H3,(H,18,19)