5-(4-fluorophenyl)-N-propyl-pyrimido[5,4-b][1,5]benzothiazepine-8-carboxamide

Systemtic Name: 5-(4-fluorophenyl)-N-propyl-pyrimido[5,4-b][1,5]benzothiazepine-8-carboxamide Openeye Name: 5-(4-fluorophenyl)-N-propyl-pyrimido[5,4-b][1,5]benzothiazepine-8-carboxamide CAS Name: 5-(4-fluorophenyl)-N-propyl-8-pyrimido[5,4-b][1,5]benzothiazepinecarboxamide IUPAC Name: 5-(4-fluorophenyl)-N-propylpyrimido[5,4-b][1,5]benzothiazepine-8-carboxamide Traditional Name: 5-(4-fluorophenyl)-N-propyl-pyrimido[5,4-b][1,5]benzothiazepine-8-carboxamide Formula: C21H17FN4OS MolecularWeight: 392.449283

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)SC3=CN=CN=C3C(=N2)C4=CC=C(C=C4)F

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)SC3=CN=CN=C3C(=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4OS/c1-2-9-24-21(27)14-5-8-17-16(10-14)26-19(13-3-6-15(22)7-4-13)20-18(28-17)11-23-12-25-20/h3-8,10-12H,2,9H2,1H3,(H,24,27)