N-(1,3-benzodioxol-5-yl)-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(tetrahydrofurfurylamino)quinazolin-2-yl]thio]butyramide Formula: C24H26N4O4S MolecularWeight: 466.55264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NCC5CCCO5

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NCC5CCCO5

InChI

InChI=1S/C24H26N4O4S/c1-2-21(23(29)26-15-9-10-19-20(12-15)32-14-31-19)33-24-27-18-8-4-3-7-17(18)22(28-24)25-13-16-6-5-11-30-16/h3-4,7-10,12,16,21H,2,5-6,11,13-14H2,1H3,(H,26,29)(H,25,27,28)