(2S)-N-(tert-butylcarbamoyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(tert-butylcarbamoyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(tert-butylcarbamoyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-[(tert-butylamino)-oxomethyl]-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(tert-butylcarbamoyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-(tert-butylcarbamoyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]propionamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)(C)C)SC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

InChI

InChI=1S/C21H29N5O3S/c1-14(18(27)24-20(28)25-21(2,3)4)30-19-15-7-5-6-8-16(15)22-17(23-19)13-26-9-11-29-12-10-26/h5-8,14H,9-13H2,1-4H3,(H2,24,25,27,28)/t14-/m0/s1