2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-isopropylpyrazol-3-yl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-isopropylpyrazol-3-yl)acetamide Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=NN3C(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=NN3C(C)C

InChI

InChI=1S/C21H26ClN5O2S/c1-13(2)8-10-26-20(29)16-6-5-15(22)11-17(16)24-21(26)30-12-19(28)25-18-7-9-23-27(18)14(3)4/h5-7,9,11,13-14H,8,10,12H2,1-4H3,(H,25,28)