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

Systemtic Name: 4-bromanyl-N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]butanamide Openeye Name: 4-bromo-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]butanamide CAS Name: 4-bromo-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]butanamide IUPAC Name: 4-bromo-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]butanamide Traditional Name: 4-bromo-N-[2-(4-keto-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]butyramide Formula: C21H18BrN5O2S MolecularWeight: 484.36892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3C(=CC(=N3)C4=CC=CS4)NC(=O)CCCBr

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3C(=CC(=N3)C4=CC=CS4)NC(=O)CCCBr

InChI

InChI=1S/C21H18BrN5O2S/c22-10-4-9-19(28)24-18-12-16(17-8-5-11-30-17)26-27(18)21-23-15(13-20(29)25-21)14-6-2-1-3-7-14/h1-3,5-8,11-13H,4,9-10H2,(H,24,28)(H,23,25,29)