7-[3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethyl-xanthine Formula: C17H28N6O3 MolecularWeight: 364.44262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCCN(CC3)CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCCN(CC3)CCO

InChI

InChI=1S/C17H28N6O3/c1-19-15-14(16(25)20(2)17(19)26)23(13-18-15)8-4-7-21-5-3-6-22(10-9-21)11-12-24/h13,24H,3-12H2,1-2H3