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

Systemtic Name: 5-oxidanidyl-6-phenyl-2,4-bis[(phenylmethyl)amino]pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 2,4-bis(benzylamino)-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 5-oxido-6-phenyl-2,4-bis[(phenylmethyl)amino]-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 2,4-bis(benzylamino)-5-oxido-6-phenylpyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 2,4-bis(benzylamino)-5-oxido-6-phenyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C26H21N5O2 MolecularWeight: 435.47724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=C2[N+](=C(C3=O)C4=CC=CC=C4)[O-])NCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=C2[N+](=C(C3=O)C4=CC=CC=C4)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C26H21N5O2/c32-24-21-23(31(33)22(24)20-14-8-3-9-15-20)25(27-16-18-10-4-1-5-11-18)30-26(29-21)28-17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H2,27,28,29,30)