4-bromanyl-N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]butanamide

Systemtic Name: 4-bromanyl-N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]butanamide Openeye Name: 4-bromo-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]butanamide CAS Name: 4-bromo-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]butanamide IUPAC Name: 4-bromo-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]butanamide Traditional Name: 4-bromo-N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]butyramide Formula: C18H20BrN5O2S MolecularWeight: 450.3527

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCCBr)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCCBr)C

InChI

InChI=1S/C18H20BrN5O2S/c1-3-12-11(2)20-18(22-17(12)26)24-15(21-16(25)7-4-8-19)10-13(23-24)14-6-5-9-27-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,25)(H,20,22,26)