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

Systemtic Name: 4-thiophen-2-ylbutyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Openeye Name: 4-(2-thienyl)butyl 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 4-thiophen-2-ylbutyl ester IUPAC Name: 4-thiophen-2-ylbutyl 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 4-(2-thienyl)butyl ester Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCCCCC4=CC=CS4

Isomeric SMILES

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCCCCC4=CC=CS4

InChI

InChI=1S/C21H25FN4O2S/c22-16-7-3-8-17-18(16)19(23)25-21(24-17)9-11-26(12-10-21)20(27)28-13-2-1-5-15-6-4-14-29-15/h3-4,6-8,14,24H,1-2,5,9-13H2,(H2,23,25)