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

Systemtic Name: 3-methyl-8-(3-oxidanylpropylamino)-7-phenacyl-purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-3-methyl-7-phenacyl-xanthine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-21-14-13(15(25)20-17(21)26)22(16(19-14)18-8-5-9-23)10-12(24)11-6-3-2-4-7-11/h2-4,6-7,23H,5,8-10H2,1H3,(H,18,19)(H,20,25,26)