N-(furan-2-ylmethyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(2-furylmethyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(2-furanylmethyl)-2-[[4-(phenethylamino)-2-quinazolinyl]thio]butanamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(2-furfuryl)-2-[[4-(phenethylamino)quinazolin-2-yl]thio]butyramide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-2-22(24(30)27-17-19-11-8-16-31-19)32-25-28-21-13-7-6-12-20(21)23(29-25)26-15-14-18-9-4-3-5-10-18/h3-13,16,22H,2,14-15,17H2,1H3,(H,27,30)(H,26,28,29)