3-[3-(dimethylamino)propyl]-7-methyl-purine-2,6-dione hydrochloride

Systemtic Name: 3-[3-(dimethylamino)propyl]-7-methyl-purine-2,6-dione hydrochloride Openeye Name: 3-[3-(dimethylamino)propyl]-7-methyl-purine-2,6-dione hydrochloride CAS Name: 3-[3-(dimethylamino)propyl]-7-methylpurine-2,6-dione hydrochloride IUPAC Name: 3-[3-(dimethylamino)propyl]-7-methylpurine-2,6-dione hydrochloride Traditional Name: 3-[3-(dimethylamino)propyl]-7-methyl-xanthine hydrochloride Formula: C11H18ClN5O2 MolecularWeight: 287.74592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)NC(=O)N2CCCN(C)C.Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)NC(=O)N2CCCN(C)C.Cl

InChI

InChI=1S/C11H17N5O2.ClH/c1-14(2)5-4-6-16-9-8(15(3)7-12-9)10(17)13-11(16)18;/h7H,4-6H2,1-3H3,(H,13,17,18);1H