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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CCC3=CC=CC=C3)C

InChI

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