N-(furan-2-ylmethyl)-6-[4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazolin-3-yl]hexanamide

Systemtic Name: N-(furan-2-ylmethyl)-6-[4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazolin-3-yl]hexanamide Openeye Name: N-(2-furylmethyl)-6-[4-oxo-2-(4-pyridylmethylsulfanyl)quinazolin-3-yl]hexanamide CAS Name: N-(2-furanylmethyl)-6-[4-oxo-2-(pyridin-4-ylmethylthio)-3-quinazolinyl]hexanamide IUPAC Name: N-(furan-2-ylmethyl)-6-[4-oxo-2-(pyridin-4-ylmethylsulfanyl)quinazolin-3-yl]hexanamide Traditional Name: N-(2-furfuryl)-6-[4-keto-2-(4-pyridylmethylthio)quinazolin-3-yl]hexanamide Formula: C25H26N4O3S MolecularWeight: 462.56394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=NC=C3)CCCCCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=NC=C3)CCCCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H26N4O3S/c30-23(27-17-20-7-6-16-32-20)10-2-1-5-15-29-24(31)21-8-3-4-9-22(21)28-25(29)33-18-19-11-13-26-14-12-19/h3-4,6-9,11-14,16H,1-2,5,10,15,17-18H2,(H,27,30)