1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanone Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-1-[4-(2-furoyl)piperazino]ethanone Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H23N5O3S/c31-22(29-12-14-30(15-13-29)24(32)21-11-6-16-33-21)17-34-25-27-20-10-5-4-9-19(20)23(28-25)26-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2,(H,26,27,28)