N-cyclopentyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C27H28FN3O4S MolecularWeight: 509.592323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)F)CC5CCCO5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)F)CC5CCCO5

InChI

InChI=1S/C27H28FN3O4S/c28-19-10-7-17(8-11-19)24(32)16-36-27-30-23-14-18(25(33)29-20-4-1-2-5-20)9-12-22(23)26(34)31(27)15-21-6-3-13-35-21/h7-12,14,20-21H,1-6,13,15-16H2,(H,29,33)