3-methyl-8-(3-oxidanylpropylamino)-7-phenethyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3/c1-21-14-13(15(24)20-17(21)25)22(16(19-14)18-9-5-11-23)10-8-12-6-3-2-4-7-12/h2-4,6-7,23H,5,8-11H2,1H3,(H,18,19)(H,20,24,25)