7-(2-azanylethyl)-1,3-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 7-(2-azanylethyl)-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-(2-aminoethyl)-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-(2-aminoethyl)-1,3-dimethyl-xanthine hydrochloride Formula: C9H14ClN5O2 MolecularWeight: 259.69276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN.Cl

InChI

InChI=1S/C9H13N5O2.ClH/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7;/h5H,3-4,10H2,1-2H3;1H