(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[2-[(2R)-butan-2-yl]-3-pyrazolyl]-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]propionamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=NN3C(C)CC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=CC=NN3[C@H](C)CC

InChI

InChI=1S/C21H27N5O2S/c1-5-13-25-20(28)16-9-7-8-10-17(16)23-21(25)29-15(4)19(27)24-18-11-12-22-26(18)14(3)6-2/h7-12,14-15H,5-6,13H2,1-4H3,(H,24,27)/t14-,15-/m1/s1