(2R)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: (2R)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2R)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: (2R)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2R)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2R)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=NN3C(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=NN1C(C)C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C21H27N5O2S/c1-13(2)12-25-20(28)16-8-6-7-9-17(16)23-21(25)29-15(5)19(27)24-18-10-11-22-26(18)14(3)4/h6-11,13-15H,12H2,1-5H3,(H,24,27)/t15-/m1/s1