N-[5-cyclopropyl-2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[5-cyclopropyl-2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5-cyclopropyl-2-(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide CAS Name: N-[5-cyclopropyl-2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[5-cyclopropyl-2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide Traditional Name: 2-(benzylthio)-N-[5-cyclopropyl-2-(6-isopropyl-4-keto-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3CC3)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3CC3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-14(2)17-11-20(28)25-22(23-17)27-19(10-18(26-27)16-8-9-16)24-21(29)13-30-12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,24,29)(H,23,25,28)