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

Systemtic Name: 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 2-methyl-4-(4-methylsulfonyl-1-piperazinyl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 4-(4-mesylpiperazino)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C18H22ClN5O2S MolecularWeight: 407.91758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCN(CC3)S(=O)(=O)C)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCN(CC3)S(=O)(=O)C)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C18H21N5O2S.ClH/c1-13-19-16-12-15(14-6-4-3-5-7-14)21-17(16)18(20-13)22-8-10-23(11-9-22)26(2,24)25;/h3-7,12,21H,8-11H2,1-2H3;1H