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

Systemtic Name: 2-methyl-6-phenyl-4-pyrrolidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 2-methyl-6-phenyl-4-pyrrolidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 2-methyl-6-phenyl-4-(1-pyrrolidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 2-methyl-6-phenyl-4-pyrrolidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 2-methyl-6-phenyl-4-pyrrolidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C17H19ClN4 MolecularWeight: 314.81256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C17H18N4.ClH/c1-12-18-15-11-14(13-7-3-2-4-8-13)20-16(15)17(19-12)21-9-5-6-10-21;/h2-4,7-8,11,20H,5-6,9-10H2,1H3;1H