4-(azetidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride

Systemtic Name: 4-(azetidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 4-(azetidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 4-(1-azetidinyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 4-(azetidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 4-(azetidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C16H17ClN4 MolecularWeight: 300.78598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C16H16N4.ClH/c1-11-17-14-10-13(12-6-3-2-4-7-12)19-15(14)16(18-11)20-8-5-9-20;/h2-4,6-7,10,19H,5,8-9H2,1H3;1H