1,3,7-trimethyl-8-[2-[methyl(1-phenylpropan-2-yl)amino]ethylamino]purine-2,6-dione hydrochloride

Systemtic Name: 1,3,7-trimethyl-8-[2-[methyl(1-phenylpropan-2-yl)amino]ethylamino]purine-2,6-dione hydrochloride Openeye Name: 1,3,7-trimethyl-8-[2-[methyl-(1-methyl-2-phenyl-ethyl)amino]ethylamino]purine-2,6-dione hydrochloride CAS Name: 1,3,7-trimethyl-8-[2-[methyl(1-phenylpropan-2-yl)amino]ethylamino]purine-2,6-dione hydrochloride IUPAC Name: 1,3,7-trimethyl-8-[2-[methyl(1-phenylpropan-2-yl)amino]ethylamino]purine-2,6-dione hydrochloride Traditional Name: 1,3,7-trimethyl-8-[2-[methyl-(1-methyl-2-phenyl-ethyl)amino]ethylamino]xanthine hydrochloride Formula: C20H29ClN6O2 MolecularWeight: 420.93626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N(C)CCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C.Cl

Isomeric SMILES

CC(CC1=CC=CC=C1)N(C)CCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C.Cl

InChI

InChI=1S/C20H28N6O2.ClH/c1-14(13-15-9-7-6-8-10-15)23(2)12-11-21-19-22-17-16(24(19)3)18(27)26(5)20(28)25(17)4;/h6-10,14H,11-13H2,1-5H3,(H,21,22);1H