1-[2-(dimethylamino)hexyl]-7-(2-oxidanylpropyl)-3H-purine-2,6-dione

Systemtic Name: 1-[2-(dimethylamino)hexyl]-7-(2-oxidanylpropyl)-3H-purine-2,6-dione Openeye Name: 1-[2-(dimethylamino)hexyl]-7-(2-hydroxypropyl)-3H-purine-2,6-dione CAS Name: 1-[2-(dimethylamino)hexyl]-7-(2-hydroxypropyl)-3H-purine-2,6-dione IUPAC Name: 1-[2-(dimethylamino)hexyl]-7-(2-hydroxypropyl)-3H-purine-2,6-dione Traditional Name: 1-[2-(dimethylamino)hexyl]-7-(2-hydroxypropyl)xanthine Formula: C16H27N5O3 MolecularWeight: 337.41728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C(=O)C2=C(NC1=O)N=CN2CC(C)O)N(C)C

Isomeric SMILES

CCCCC(CN1C(=O)C2=C(NC1=O)N=CN2CC(C)O)N(C)C

InChI

InChI=1S/C16H27N5O3/c1-5-6-7-12(19(3)4)9-21-15(23)13-14(18-16(21)24)17-10-20(13)8-11(2)22/h10-12,22H,5-9H2,1-4H3,(H,18,24)