2-methyl-6-phenyl-4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride

Systemtic Name: 2-methyl-6-phenyl-4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 2-methyl-6-phenyl-4-(3-pyridyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 2-methyl-6-phenyl-4-(3-pyridinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 2-methyl-6-phenyl-4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 2-methyl-6-phenyl-4-(3-pyridyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C18H15ClN4 MolecularWeight: 322.7915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=N1)C=C([NH2+]2)C3=CC=CC=C3)C4=CN=CC=C4.[Cl-]

Isomeric SMILES

CC1=NC(=C2C(=N1)C=C([NH2+]2)C3=CC=CC=C3)C4=CN=CC=C4.[Cl-]

InChI

InChI=1S/C18H14N4.ClH/c1-12-20-16-10-15(13-6-3-2-4-7-13)22-18(16)17(21-12)14-8-5-9-19-11-14;/h2-11,22H,1H3;1H