6-bromanyl-3-(3-ethoxypropyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(3-ethoxypropyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 6-bromo-3-(3-ethoxypropyl)-2-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-bromo-3-(3-ethoxypropyl)-2-[[2-[(2R)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 6-bromo-3-(3-ethoxypropyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 6-bromo-3-(3-ethoxypropyl)-2-[[2-keto-2-[(2R)-2-methylpiperidino]ethyl]thio]quinazolin-4-one Formula: C21H28BrN3O3S MolecularWeight: 482.43432

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCCCC3C

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCCC[C@H]3C

InChI

InChI=1S/C21H28BrN3O3S/c1-3-28-12-6-11-25-20(27)17-13-16(22)8-9-18(17)23-21(25)29-14-19(26)24-10-5-4-7-15(24)2/h8-9,13,15H,3-7,10-12,14H2,1-2H3/t15-/m1/s1