1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione

Systemtic Name: 1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-isobutylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-isobutylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C14H15N2O2S+ MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=C2N(C(=O)CC1=O)C3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[N+]1=C2N(C(=O)CC1=O)C3=CC=CC=C3S2

InChI

InChI=1S/C14H15N2O2S/c1-9(2)8-15-12(17)7-13(18)16-10-5-3-4-6-11(10)19-14(15)16/h3-6,9H,7-8H2,1-2H3/q+1