7-(1-oxidanidylpyridin-1-ium-3-yl)-5-(phenylmethyl)-1H-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 7-(1-oxidanidylpyridin-1-ium-3-yl)-5-(phenylmethyl)-1H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 5-benzyl-7-(1-oxidopyridin-1-ium-3-yl)-1H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 7-(1-oxido-3-pyridin-1-iumyl)-5-(phenylmethyl)-1H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 5-benzyl-7-(1-oxidopyridin-1-ium-3-yl)-1H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 5-benzyl-7-(1-oxidopyridin-1-ium-3-yl)-1H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C(=O)N=CN3)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C(=O)N=CN3)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C18H14N4O2/c23-18-17-16(19-12-20-18)15(14-7-4-8-22(24)10-14)11-21(17)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2,(H,19,20,23)