8-methyl-3-pyrimidin-4-yl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 8-methyl-3-pyrimidin-4-yl-2H-1,3-benzoxazin-3-ium Openeye Name: 8-methyl-3-pyrimidin-4-yl-2H-1,3-benzoxazin-3-ium CAS Name: 8-methyl-3-(4-pyrimidinyl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-methyl-3-pyrimidin-4-yl-2H-1,3-benzoxazin-3-ium Traditional Name: 8-methyl-3-(4-pyrimidyl)-2H-1,3-benzoxazin-3-ium Formula: C13H12N3O+ MolecularWeight: 226.25388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC[N+](=C2)C3=NC=NC=C3

Isomeric SMILES

CC1=CC=CC2=C1OC[N+](=C2)C3=NC=NC=C3

InChI

InChI=1S/C13H12N3O/c1-10-3-2-4-11-7-16(9-17-13(10)11)12-5-6-14-8-15-12/h2-8H,9H2,1H3/q+1