8-methoxy-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium

Systemtic Name: 8-methoxy-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium Openeye Name: 8-methoxy-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium CAS Name: 8-methoxy-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium IUPAC Name: 8-methoxy-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium Traditional Name: 8-methoxy-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium Formula: C13H13N2OS+ MolecularWeight: 245.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=C(C=C(C=C3)OC)SC2=N1)C

Isomeric SMILES

CC1=CC(=[N+]2C3=C(C=C(C=C3)OC)SC2=N1)C

InChI

InChI=1S/C13H13N2OS/c1-8-6-9(2)15-11-5-4-10(16-3)7-12(11)17-13(15)14-8/h4-7H,1-3H3/q+1