1-(1,3-benzodioxol-5-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]ethanone Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H17N3O3S/c24-16(12-5-8-17-18(9-12)26-11-25-17)10-27-20-22-15-4-2-1-3-14(15)19(23-20)21-13-6-7-13/h1-5,8-9,13H,6-7,10-11H2,(H,21,22,23)