6-bromanyl-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-3-[(2R)-2-oxidanylpropyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-3-[(2R)-2-oxidanylpropyl]quinazolin-4-one Openeye Name: 6-bromo-3-[(2R)-2-hydroxypropyl]-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one CAS Name: 6-bromo-3-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-oxocyclohexyl]thio]-4-quinazolinone IUPAC Name: 6-bromo-3-[(2R)-2-hydroxypropyl]-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one Traditional Name: 6-bromo-3-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-ketocyclohexyl]thio]quinazolin-4-one Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC3CCCCC3=O)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=CC(=C2)Br)N=C1S[C@H]3CCCCC3=O)O

InChI

InChI=1S/C17H19BrN2O3S/c1-10(21)9-20-16(23)12-8-11(18)6-7-13(12)19-17(20)24-15-5-3-2-4-14(15)22/h6-8,10,15,21H,2-5,9H2,1H3/t10-,15+/m1/s1