6-bromanyl-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 6-bromo-2-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 6-bromo-2-[[2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 6-bromo-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-bromo-2-[[2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C21H28BrN3O2S MolecularWeight: 466.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C)C

InChI

InChI=1S/C21H28BrN3O2S/c1-13(2)11-24-20(27)17-10-16(22)8-9-18(17)23-21(24)28-12-19(26)25-14(3)6-5-7-15(25)4/h8-10,13-15H,5-7,11-12H2,1-4H3/t14-,15-/m1/s1