2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-cyclopropyl-quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-cyclopropyl-quinazolin-4-one Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-cyclopropyl-quinazolin-4-one CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-cyclopropyl-4-quinazolinone IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-cyclopropylquinazolin-4-one Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-cyclopropyl-quinazolin-4-one Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)Cl)OC1

InChI

InChI=1S/C21H19ClN2O3S/c22-16-10-13(11-18-19(16)27-9-3-8-26-18)12-28-21-23-17-5-2-1-4-15(17)20(25)24(21)14-6-7-14/h1-2,4-5,10-11,14H,3,6-9,12H2