1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione hydrochloride Openeye Name: 7-[2-(isopropylamino)propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione hydrochloride IUPAC Name: 1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione hydrochloride Traditional Name: 7-[2-(isopropylamino)propyl]-1,3-dimethyl-xanthine hydrochloride Formula: C13H22ClN5O2 MolecularWeight: 315.79908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl

Isomeric SMILES

CC(C)NC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl

InChI

InChI=1S/C13H21N5O2.ClH/c1-8(2)15-9(3)6-18-7-14-11-10(18)12(19)17(5)13(20)16(11)4;/h7-9,15H,6H2,1-5H3;1H