N-(2-cyclopentylpyrazol-3-yl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C21H25N5O2S/c1-14(2)25-20(28)16-9-5-6-10-17(16)23-21(25)29-13-19(27)24-18-11-12-22-26(18)15-7-3-4-8-15/h5-6,9-12,14-15H,3-4,7-8,13H2,1-2H3,(H,24,27)