2-[2-(methylamino)ethyl]-7-(phenylmethyl)-3H-purin-6-one hydrochloride

Systemtic Name: 2-[2-(methylamino)ethyl]-7-(phenylmethyl)-3H-purin-6-one hydrochloride Openeye Name: 7-benzyl-2-[2-(methylamino)ethyl]-3H-purin-6-one hydrochloride CAS Name: 2-[2-(methylamino)ethyl]-7-(phenylmethyl)-3H-purin-6-one hydrochloride IUPAC Name: 7-benzyl-2-[2-(methylamino)ethyl]-3H-purin-6-one hydrochloride Traditional Name: 7-benzyl-2-[2-(methylamino)ethyl]-3H-purin-6-one hydrochloride Formula: C15H18ClN5O MolecularWeight: 319.78932

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3.Cl

Isomeric SMILES

CNCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3.Cl

InChI

InChI=1S/C15H17N5O.ClH/c1-16-8-7-12-18-14-13(15(21)19-12)20(10-17-14)9-11-5-3-2-4-6-11;/h2-6,10,16H,7-9H2,1H3,(H,18,19,21);1H