9-tert-butyl-6-methyl-8-nitro-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole hydrochloride

Systemtic Name: 9-tert-butyl-6-methyl-8-nitro-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole hydrochloride Openeye Name: 9-tert-butyl-6-methyl-8-nitro-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole hydrochloride CAS Name: 9-tert-butyl-6-methyl-8-nitro-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole hydrochloride IUPAC Name: 9-tert-butyl-6-methyl-8-nitro-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole hydrochloride Traditional Name: 9-tert-butyl-6-methyl-8-nitro-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole hydrochloride Formula: C15H20ClN3O2S MolecularWeight: 341.8562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N3CCCN=C3S2)C(C)(C)C)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=CC(=C(C2=C1N3CCCN=C3S2)C(C)(C)C)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H19N3O2S.ClH/c1-9-8-10(18(19)20)11(15(2,3)4)13-12(9)17-7-5-6-16-14(17)21-13;/h8H,5-7H2,1-4H3;1H