2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C21H27N5O2S/c1-13(2)10-11-26-20(28)16-8-6-7-9-17(16)22-21(26)29-12-18(27)23-19-14(3)24-25(5)15(19)4/h6-9,13H,10-12H2,1-5H3,(H,23,27)