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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-cyclopropyl-quinazolin-4-amine Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-cyclopropyl-quinazolin-4-amine CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-cyclopropyl-4-quinazolinamine IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-cyclopropylquinazolin-4-amine Traditional Name: [2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]quinazolin-4-yl]-cyclopropyl-amine Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5)Cl)OC1

InChI

InChI=1S/C21H20ClN3O2S/c22-16-10-13(11-18-19(16)27-9-3-8-26-18)12-28-21-24-17-5-2-1-4-15(17)20(25-21)23-14-6-7-14/h1-2,4-5,10-11,14H,3,6-9,12H2,(H,23,24,25)