(2S)-N-aminocarbonyl-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-3-methyl-butanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-3-methyl-butanamide Openeye Name: (2S)-N-carbamoyl-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-3-methyl-butanamide CAS Name: (2S)-N-carbamoyl-2-[(2-cyclopropyl-4-quinazolinyl)thio]-3-methylbutanamide IUPAC Name: (2S)-N-carbamoyl-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-3-methylbutanamide Traditional Name: (2S)-N-carbamoyl-2-[(2-cyclopropylquinazolin-4-yl)thio]-3-methyl-butyramide Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC(=NC2=CC=CC=C21)C3CC3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(=O)N)SC1=NC(=NC2=CC=CC=C21)C3CC3

InChI

InChI=1S/C17H20N4O2S/c1-9(2)13(15(22)21-17(18)23)24-16-11-5-3-4-6-12(11)19-14(20-16)10-7-8-10/h3-6,9-10,13H,7-8H2,1-2H3,(H3,18,21,22,23)/t13-/m0/s1