11-phenyl-2,3,4,4a,7,11-hexahydropyrimido[2,1-b]pteridin-6-ium 6-oxide

Systemtic Name: 11-phenyl-2,3,4,4a,7,11-hexahydropyrimido[2,1-b]pteridin-6-ium 6-oxide Openeye Name: 11-phenyl-2,3,4,4a,7,11-hexahydropyrimido[2,1-b]pteridin-6-ium 6-oxide CAS Name: 11-phenyl-2,3,4,4a,7,11-hexahydropyrimido[2,1-b]pteridin-6-ium 6-oxide IUPAC Name: 11-phenyl-2,3,4,4a,7,11-hexahydropyrimido[2,1-b]pteridin-6-ium 6-oxide Traditional Name: 11-phenyl-2,3,4,4a,7,11-hexahydropyrimido[2,1-b]pteridin-6-ium 6-oxide Formula: C15H16N5O+ MolecularWeight: 282.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C(N3C=CC[N+](=O)C3=NC2N1)C4=CC=CC=C4

Isomeric SMILES

C1CN=C2C(N3C=CC[N+](=O)C3=NC2N1)C4=CC=CC=C4

InChI

InChI=1S/C15H16N5O/c21-20-10-4-9-19-13(11-5-2-1-3-6-11)12-14(18-15(19)20)17-8-7-16-12/h1-6,9,13-14,17H,7-8,10H2/q+1