2-methyl-6-phenyl-N-(phenylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride

Systemtic Name: 2-methyl-6-phenyl-N-(phenylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride Openeye Name: N-benzyl-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride CAS Name: 2-methyl-6-phenyl-N-(phenylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride IUPAC Name: N-benzyl-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-amine chloride Traditional Name: benzyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-4-yl)amine chloride Formula: C20H19ClN4 MolecularWeight: 350.84466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCC3=CC=CC=C3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)NCC3=CC=CC=C3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H18N4.ClH/c1-14-22-18-12-17(16-10-6-3-7-11-16)24-19(18)20(23-14)21-13-15-8-4-2-5-9-15;/h2-12,24H,13H2,1H3,(H,21,22,23);1H