3-butyl-8-oxidanidyl-6-phenyl-pteridin-8-ium-4-one

Systemtic Name: 3-butyl-8-oxidanidyl-6-phenyl-pteridin-8-ium-4-one Openeye Name: 3-butyl-8-oxido-6-phenyl-pteridin-8-ium-4-one CAS Name: 3-butyl-8-oxido-6-phenyl-4-pteridin-8-iumone IUPAC Name: 3-butyl-8-oxido-6-phenylpteridin-8-ium-4-one Traditional Name: 3-butyl-8-oxido-6-phenyl-pteridin-8-ium-4-one Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=[N+](C=C(N=C2C1=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCN1C=NC2=[N+](C=C(N=C2C1=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H16N4O2/c1-2-3-9-19-11-17-15-14(16(19)21)18-13(10-20(15)22)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3