2-methylsulfanyl-4-(2-morpholin-4-ylethylamino)-5-oxidanidyl-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one

Systemtic Name: 2-methylsulfanyl-4-(2-morpholin-4-ylethylamino)-5-oxidanidyl-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 2-methylsulfanyl-4-(2-morpholinoethylamino)-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 2-(methylthio)-4-[2-(4-morpholinyl)ethylamino]-5-oxido-6-phenyl-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 2-methylsulfanyl-4-(2-morpholin-4-ylethylamino)-5-oxido-6-phenylpyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 2-(methylthio)-4-(2-morpholinoethylamino)-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)NCCN3CCOCC3)[N+](=C(C2=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CSC1=NC2=C(C(=N1)NCCN3CCOCC3)[N+](=C(C2=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C19H21N5O3S/c1-28-19-21-14-16(18(22-19)20-7-8-23-9-11-27-12-10-23)24(26)15(17(14)25)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,20,21,22)