(2S)-2-[7-chloranyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-propan-2-yl-propanamide

Systemtic Name: (2S)-2-[7-chloranyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-propan-2-yl-propanamide Openeye Name: (2S)-2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-isopropyl-propanamide CAS Name: (2S)-2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide Traditional Name: (2S)-2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]-N-isopropyl-propionamide Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC(C)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1S[C@@H](C)C(=O)NC(C)C)O

InChI

InChI=1S/C17H22ClN3O3S/c1-9(2)19-15(23)11(4)25-17-20-14-7-12(18)5-6-13(14)16(24)21(17)8-10(3)22/h5-7,9-11,22H,8H2,1-4H3,(H,19,23)/t10-,11-/m0/s1