2-pyridin-2-ylsulfanylethyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

Systemtic Name: 2-pyridin-2-ylsulfanylethyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Openeye Name: 2-(2-pyridylsulfanyl)ethyl 4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate CAS Name: 4-amino-5-fluoro-1'-spiro[1H-quinazoline-2,4'-piperidine]carboxylic acid 2-(2-pyridinylthio)ethyl ester IUPAC Name: 2-pyridin-2-ylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Traditional Name: 4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid 2-(2-pyridylthio)ethyl ester Formula: C20H22FN5O2S MolecularWeight: 415.484383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCCSC4=CC=CC=N4

Isomeric SMILES

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCCSC4=CC=CC=N4

InChI

InChI=1S/C20H22FN5O2S/c21-14-4-3-5-15-17(14)18(22)25-20(24-15)7-10-26(11-8-20)19(27)28-12-13-29-16-6-1-2-9-23-16/h1-6,9,24H,7-8,10-13H2,(H2,22,25)