4-azanyl-6-(4-methylphenyl)-5-oxidanidyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one

Systemtic Name: 4-azanyl-6-(4-methylphenyl)-5-oxidanidyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 4-amino-5-oxido-6-(p-tolyl)pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 4-amino-6-(4-methylphenyl)-5-oxido-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 4-amino-6-(4-methylphenyl)-5-oxidopyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 4-amino-5-oxido-6-(p-tolyl)pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C3=C(C2=O)N=CN=C3N)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C3=C(C2=O)N=CN=C3N)[O-]

InChI

InChI=1S/C13H10N4O2/c1-7-2-4-8(5-3-7)10-12(18)9-11(17(10)19)13(14)16-6-15-9/h2-6H,1H3,(H2,14,15,16)