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

Systemtic Name: 4-bromanyl-N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]butanamide Openeye Name: 4-bromo-N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]butanamide CAS Name: 4-bromo-N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]butanamide IUPAC Name: 4-bromo-N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]butanamide Traditional Name: 4-bromo-N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]butyramide Formula: C17H18BrN5O2S MolecularWeight: 436.32612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCCBr)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCCBr)C

InChI

InChI=1S/C17H18BrN5O2S/c1-10-11(2)19-17(21-16(10)25)23-14(20-15(24)6-3-7-18)9-12(22-23)13-5-4-8-26-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,20,24)(H,19,21,25)