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

Systemtic Name: 4-bromanyl-N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]butanamide Openeye Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-4-bromo-butanamide CAS Name: 4-bromo-N-[2-[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-3-pyrazolyl]butanamide IUPAC Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-4-bromobutanamide Traditional Name: N-[2-(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-4-bromo-butyramide Formula: C23H22BrN5O2S MolecularWeight: 512.42208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCCBr)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCCBr)CC4=CC=CC=C4

InChI

InChI=1S/C23H22BrN5O2S/c1-15-17(13-16-7-3-2-4-8-16)22(31)27-23(25-15)29-20(26-21(30)10-5-11-24)14-18(28-29)19-9-6-12-32-19/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,26,30)(H,25,27,31)