2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-[(2R)-2-oxidanylpropyl]quinazolin-4-one

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-[(2R)-2-oxidanylpropyl]quinazolin-4-one Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-[(2R)-2-hydroxypropyl]quinazolin-4-one CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-7-chloro-3-[(2R)-2-hydroxypropyl]-4-quinazolinone IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-[(2R)-2-hydroxypropyl]quinazolin-4-one Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-7-chloro-3-[(2R)-2-hydroxypropyl]quinazolin-4-one Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCCCCCC3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCCCCCC3)O

InChI

InChI=1S/C20H26ClN3O3S/c1-14(25)12-24-19(27)16-8-7-15(21)11-17(16)22-20(24)28-13-18(26)23-9-5-3-2-4-6-10-23/h7-8,11,14,25H,2-6,9-10,12-13H2,1H3/t14-/m1/s1