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

Systemtic Name: 4-azanyl-5-oxidanidyl-6-phenyl-2-[(phenylmethyl)amino]pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 4-amino-2-(benzylamino)-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 4-amino-5-oxido-6-phenyl-2-[(phenylmethyl)amino]-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 4-amino-2-(benzylamino)-5-oxido-6-phenylpyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 4-amino-2-(benzylamino)-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C19H15N5O2 MolecularWeight: 345.3547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=C(C(=N2)N)[N+](=C(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=C(C(=N2)N)[N+](=C(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C19H15N5O2/c20-18-16-14(17(25)15(24(16)26)13-9-5-2-6-10-13)22-19(23-18)21-11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,20,21,22,23)