7-(2-dimethylaminoethyl)-3-(phenylmethyl)purine-2,6-dione hydrochloride

Systemtic Name: 7-(2-dimethylaminoethyl)-3-(phenylmethyl)purine-2,6-dione hydrochloride Openeye Name: 3-benzyl-7-(2-dimethylaminoethyl)purine-2,6-dione hydrochloride CAS Name: 7-(2-dimethylaminoethyl)-3-(phenylmethyl)purine-2,6-dione hydrochloride IUPAC Name: 3-benzyl-7-(2-dimethylaminoethyl)purine-2,6-dione hydrochloride Traditional Name: 3-benzyl-7-(2-dimethylaminoethyl)xanthine hydrochloride Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.Cl

InChI

InChI=1S/C16H19N5O2.ClH/c1-19(2)8-9-20-11-17-14-13(20)15(22)18-16(23)21(14)10-12-6-4-3-5-7-12;/h3-7,11H,8-10H2,1-2H3,(H,18,22,23);1H