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

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-isopropylpyrazol-3-yl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-isopropylpyrazol-3-yl)acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=NN3C(C)C

InChI

InChI=1S/C21H27N5O2S/c1-14(2)10-12-25-20(28)16-7-5-6-8-17(16)23-21(25)29-13-19(27)24-18-9-11-22-26(18)15(3)4/h5-9,11,14-15H,10,12-13H2,1-4H3,(H,24,27)