2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-chloranyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-chloranyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-6-chloro-quinazolin-4-one CAS Name: 2-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-6-chloro-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-6-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-6-chloro-quinazolin-4-one Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H24ClN3O2S/c1-3-10-24-19(26)16-13-15(21)8-9-17(16)22-20(24)27-14(2)18(25)23-11-6-4-5-7-12-23/h3,8-9,13-14H,1,4-7,10-12H2,2H3/t14-/m1/s1