7-[(4-dimethylaminophenyl)methyl]-1,3-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 7-[(4-dimethylaminophenyl)methyl]-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-[(4-dimethylaminophenyl)methyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[(4-dimethylaminophenyl)methyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[(4-dimethylaminophenyl)methyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[4-(dimethylamino)benzyl]-1,3-dimethyl-xanthine hydrochloride Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)N(C)C.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)N(C)C.Cl

InChI

InChI=1S/C16H19N5O2.ClH/c1-18(2)12-7-5-11(6-8-12)9-21-10-17-14-13(21)15(22)20(4)16(23)19(14)3;/h5-8,10H,9H2,1-4H3;1H