2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-cycloheptyl-ethanamide

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-cycloheptyl-ethanamide Openeye Name: 2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-cycloheptyl-acetamide CAS Name: 2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cycloheptylacetamide Traditional Name: 2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]-N-cycloheptyl-acetamide Formula: C20H26BrN3O3S MolecularWeight: 468.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3CCCCCC3)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3CCCCCC3)O

InChI

InChI=1S/C20H26BrN3O3S/c1-13(25)11-24-19(27)16-10-14(21)8-9-17(16)23-20(24)28-12-18(26)22-15-6-4-2-3-5-7-15/h8-10,13,15,25H,2-7,11-12H2,1H3,(H,22,26)/t13-/m0/s1