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

Systemtic Name: N-[5-cyclopropyl-2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-ethylsulfanyl-benzamide Openeye Name: N-[5-cyclopropyl-2-(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-ethylsulfanyl-benzamide CAS Name: N-[5-cyclopropyl-2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-(ethylthio)benzamide IUPAC Name: N-[5-cyclopropyl-2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-ethylsulfanylbenzamide Traditional Name: N-[5-cyclopropyl-2-(6-isopropyl-4-keto-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(ethylthio)benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C(C)C)C4CC4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C(C)C)C4CC4

InChI

InChI=1S/C22H25N5O2S/c1-4-30-18-8-6-5-7-15(18)21(29)24-19-11-17(14-9-10-14)26-27(19)22-23-16(13(2)3)12-20(28)25-22/h5-8,11-14H,4,9-10H2,1-3H3,(H,24,29)(H,23,25,28)