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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C22H28ClN5O2S MolecularWeight: 462.00802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC=NN3C(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC=NN3C(C)C

InChI

InChI=1S/C22H28ClN5O2S/c1-13(2)9-11-27-21(30)17-7-6-16(23)12-18(17)25-22(27)31-15(5)20(29)26-19-8-10-24-28(19)14(3)4/h6-8,10,12-15H,9,11H2,1-5H3,(H,26,29)