4-azanyl-5-oxidanidyl-6-phenyl-2-piperidin-1-yl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one

Systemtic Name: 4-azanyl-5-oxidanidyl-6-phenyl-2-piperidin-1-yl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 4-amino-5-oxido-6-phenyl-2-(1-piperidyl)pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 4-amino-5-oxido-6-phenyl-2-(1-piperidinyl)-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 4-amino-5-oxido-6-phenyl-2-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 4-amino-5-oxido-6-phenyl-2-piperidino-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C(=N2)N)[N+](=C(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C(=N2)N)[N+](=C(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C17H17N5O2/c18-16-14-12(19-17(20-16)21-9-5-2-6-10-21)15(23)13(22(14)24)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,18,19,20)