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

Systemtic Name: 3-methyl-1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-isobutyl-3-methyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 3-methyl-1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 3-methyl-1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-isobutyl-3-methyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C15H17N2O2S+ MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N2C3=CC=CC=C3SC2=[N+](C1=O)CC(C)C

Isomeric SMILES

CC1C(=O)N2C3=CC=CC=C3SC2=[N+](C1=O)CC(C)C

InChI

InChI=1S/C15H17N2O2S/c1-9(2)8-16-13(18)10(3)14(19)17-11-6-4-5-7-12(11)20-15(16)17/h4-7,9-10H,8H2,1-3H3/q+1