[9-[(2-methoxyphenyl)methyl]-2-prop-1-ynyl-purin-6-yl]-methyl-azanium chloride

Systemtic Name: [9-[(2-methoxyphenyl)methyl]-2-prop-1-ynyl-purin-6-yl]-methyl-azanium chloride Openeye Name: [9-[(2-methoxyphenyl)methyl]-2-prop-1-ynyl-purin-6-yl]-methyl-ammonium chloride CAS Name: [9-[(2-methoxyphenyl)methyl]-2-prop-1-ynyl-6-purinyl]-methylammonium chloride IUPAC Name: [9-[(2-methoxyphenyl)methyl]-2-prop-1-ynylpurin-6-yl]-methylazanium chloride Traditional Name: methyl-(9-o-anisyl-2-prop-1-ynyl-purin-6-yl)ammonium chloride Formula: C17H18ClN5O MolecularWeight: 343.81072

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=CC=C3OC.[Cl-]

Isomeric SMILES

CC#CC1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=CC=C3OC.[Cl-]

InChI

InChI=1S/C17H17N5O.ClH/c1-4-7-14-20-16(18-2)15-17(21-14)22(11-19-15)10-12-8-5-6-9-13(12)23-3;/h5-6,8-9,11H,10H2,1-3H3,(H,18,20,21);1H