4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-pyridin-3-yl-quinazoline Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(3-pyridyl)quinazoline CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-(3-pyridinyl)quinazoline IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-pyridin-3-ylquinazoline Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-(3-pyridyl)quinazoline Formula: C22H17N3O2S MolecularWeight: 387.45428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)OC1

InChI

InChI=1S/C22H17N3O2S/c1-2-7-18-17(6-1)22(25-21(24-18)15-5-3-10-23-14-15)28-16-8-9-19-20(13-16)27-12-4-11-26-19/h1-3,5-10,13-14H,4,11-12H2