3-[3-[3-(bromomethyl)thiophen-2-yl]-1,2-benzothiazol-5-yl]-1,6-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 3-[3-[3-(bromomethyl)thiophen-2-yl]-1,2-benzothiazol-5-yl]-1,6-dimethyl-pyrimidine-2,4-dione Openeye Name: 3-[3-[3-(bromomethyl)-2-thienyl]-1,2-benzothiazol-5-yl]-1,6-dimethyl-pyrimidine-2,4-dione CAS Name: 3-[3-[3-(bromomethyl)-2-thiophenyl]-1,2-benzothiazol-5-yl]-1,6-dimethylpyrimidine-2,4-dione IUPAC Name: 3-[3-[3-(bromomethyl)thiophen-2-yl]-1,2-benzothiazol-5-yl]-1,6-dimethylpyrimidine-2,4-dione Traditional Name: 3-[3-[3-(bromomethyl)-2-thienyl]-1,2-benzothiazol-5-yl]-1,6-dimethyl-pyrimidine-2,4-quinone Formula: C18H14BrN3O2S2 MolecularWeight: 448.35666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1C)C2=CC3=C(C=C2)SN=C3C4=C(C=CS4)CBr

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1C)C2=CC3=C(C=C2)SN=C3C4=C(C=CS4)CBr

InChI

InChI=1S/C18H14BrN3O2S2/c1-10-7-15(23)22(18(24)21(10)2)12-3-4-14-13(8-12)16(20-26-14)17-11(9-19)5-6-25-17/h3-8H,9H2,1-2H3