8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione hydrochloride

Systemtic Name: 8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione hydrochloride Openeye Name: 8-(aminomethyl)-7-benzyl-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione hydrochloride IUPAC Name: 8-(aminomethyl)-7-benzyl-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 8-(aminomethyl)-7-benzyl-1,3-dimethyl-xanthine hydrochloride Formula: C15H18ClN5O2 MolecularWeight: 335.78872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O2.ClH/c1-18-13-12(14(21)19(2)15(18)22)20(11(8-16)17-13)9-10-6-4-3-5-7-10;/h3-7H,8-9,16H2,1-2H3;1H