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

Systemtic Name: 2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-[[4-(tetrahydrofurfurylamino)quinazolin-2-yl]thio]ethanone Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N5O2S/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/h1-5,7-8,10-11,20H,6,9,12-18H2,(H,26,27,28)