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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]propionamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5CC5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5CC5

InChI

InChI=1S/C21H20N4O3S/c1-12(20(26)23-14-8-9-17-18(10-14)28-11-27-17)29-21-24-16-5-3-2-4-15(16)19(25-21)22-13-6-7-13/h2-5,8-10,12-13H,6-7,11H2,1H3,(H,23,26)(H,22,24,25)