4-[4-[(2-azanylpyrimidin-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]-N-(3-bromanyl-5-ethyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-[4-[(2-azanylpyrimidin-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]-N-(3-bromanyl-5-ethyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-[4-[(2-aminopyrimidin-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]-N-(3-bromo-5-ethyl-phenyl)piperazine-1-carboxamide CAS Name: 4-[4-[(2-amino-4-pyrimidinyl)methoxy]-1,2,5-thiadiazol-3-yl]-N-(3-bromo-5-ethylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[4-[(2-aminopyrimidin-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]-N-(3-bromo-5-ethylphenyl)piperazine-1-carboxamide Traditional Name: 4-[4-[(2-aminopyrimidin-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]-N-(3-bromo-5-ethyl-phenyl)piperazine-1-carboxamide Formula: C20H23BrN8O2S MolecularWeight: 519.41802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)Br)NC(=O)N2CCN(CC2)C3=NSN=C3OCC4=NC(=NC=C4)N

Isomeric SMILES

CCC1=CC(=CC(=C1)Br)NC(=O)N2CCN(CC2)C3=NSN=C3OCC4=NC(=NC=C4)N

InChI

InChI=1S/C20H23BrN8O2S/c1-2-13-9-14(21)11-16(10-13)25-20(30)29-7-5-28(6-8-29)17-18(27-32-26-17)31-12-15-3-4-23-19(22)24-15/h3-4,9-11H,2,5-8,12H2,1H3,(H,25,30)(H2,22,23,24)