N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-yl-quinazolin-4-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-yl-quinazolin-4-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-thienyl)quinazolin-4-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-yl-4-quinazolinamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylquinazolin-4-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[2-(2-thienyl)quinazolin-4-yl]amine Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)OC1

InChI

InChI=1S/C21H17N3O2S/c1-2-6-16-15(5-1)20(24-21(23-16)19-7-3-12-27-19)22-14-8-9-17-18(13-14)26-11-4-10-25-17/h1-3,5-9,12-13H,4,10-11H2,(H,22,23,24)