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

Systemtic Name: 7-[3-(dimethylamino)propyl]-3-(phenylmethyl)purine-2,6-dione hydrochloride Openeye Name: 3-benzyl-7-[3-(dimethylamino)propyl]purine-2,6-dione hydrochloride CAS Name: 7-[3-(dimethylamino)propyl]-3-(phenylmethyl)purine-2,6-dione hydrochloride IUPAC Name: 3-benzyl-7-[3-(dimethylamino)propyl]purine-2,6-dione hydrochloride Traditional Name: 3-benzyl-7-[3-(dimethylamino)propyl]xanthine hydrochloride Formula: C17H22ClN5O2 MolecularWeight: 363.84188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CCCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.Cl

InChI

InChI=1S/C17H21N5O2.ClH/c1-20(2)9-6-10-21-12-18-15-14(21)16(23)19-17(24)22(15)11-13-7-4-3-5-8-13;/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,19,23,24);1H