(2S)-N-aminocarbonyl-3-methyl-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: (2S)-N-aminocarbonyl-3-methyl-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: (2S)-N-carbamoyl-3-methyl-2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: (2S)-N-carbamoyl-3-methyl-2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: (2S)-N-carbamoyl-3-methyl-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: (2S)-N-carbamoyl-2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]-3-methyl-butyramide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CCCN3CCOCC3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CCCN3CCOCC3

InChI

InChI=1S/C21H29N5O4S/c1-14(2)17(18(27)24-20(22)29)31-21-23-16-7-4-3-6-15(16)19(28)26(21)9-5-8-25-10-12-30-13-11-25/h3-4,6-7,14,17H,5,8-13H2,1-2H3,(H3,22,24,27,29)/t17-/m0/s1