2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2-furylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(2-furanylmethylamino)-2-quinazolinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(2-furfurylamino)quinazolin-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NCC5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NCC5=CC=CO5

InChI

InChI=1S/C25H25N5O2S/c31-23(30-14-12-29(13-15-30)19-7-2-1-3-8-19)18-33-25-27-22-11-5-4-10-21(22)24(28-25)26-17-20-9-6-16-32-20/h1-11,16H,12-15,17-18H2,(H,26,27,28)