N-(2-cyclopentylpyrazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]acetamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3S/c1-15(13-30-2)26-21(29)17-9-5-6-10-18(17)24-22(26)31-14-20(28)25-19-11-12-23-27(19)16-7-3-4-8-16/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,25,28)