methyl-[2-[(E)-2-phenylethenyl]-9-(phenylmethyl)purin-6-yl]azanium chloride

Systemtic Name: methyl-[2-[(E)-2-phenylethenyl]-9-(phenylmethyl)purin-6-yl]azanium chloride Openeye Name: [9-benzyl-2-[(E)-styryl]purin-6-yl]-methyl-ammonium chloride CAS Name: methyl-[2-[(E)-2-phenylethenyl]-9-(phenylmethyl)-6-purinyl]ammonium chloride IUPAC Name: [9-benzyl-2-[(E)-2-phenylethenyl]purin-6-yl]-methylazanium chloride Traditional Name: [9-benzyl-2-[(E)-styryl]purin-6-yl]-methyl-ammonium chloride Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C=CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)/C=C/C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H19N5.ClH/c1-22-20-19-21(26(15-23-19)14-17-10-6-3-7-11-17)25-18(24-20)13-12-16-8-4-2-5-9-16;/h2-13,15H,14H2,1H3,(H,22,24,25);1H/b13-12+;