5-bromanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(ethylthio)pyrimidine-4-carboxamide Formula: C16H15BrN4O2S2 MolecularWeight: 439.3499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Br)SCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Br)SCC

InChI

InChI=1S/C16H15BrN4O2S2/c1-3-23-9-5-6-11-12(7-9)25-16(19-11)21-14(22)13-10(17)8-18-15(20-13)24-4-2/h5-8H,3-4H2,1-2H3,(H,19,21,22)