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

Systemtic Name: 3-methylsulfonylpropyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Openeye Name: 3-methylsulfonylpropyl 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 3-methylsulfonylpropyl ester IUPAC Name: 3-methylsulfonylpropyl 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 3-mesylpropyl ester Formula: C17H23FN4O4S MolecularWeight: 398.452323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCOC(=O)N1CCC2(CC1)NC3=C(C(=CC=C3)F)C(=N2)N

Isomeric SMILES

CS(=O)(=O)CCCOC(=O)N1CCC2(CC1)NC3=C(C(=CC=C3)F)C(=N2)N

InChI

InChI=1S/C17H23FN4O4S/c1-27(24,25)11-3-10-26-16(23)22-8-6-17(7-9-22)20-13-5-2-4-12(18)14(13)15(19)21-17/h2,4-5,20H,3,6-11H2,1H3,(H2,19,21)