N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-5-methyl-4-(4-propyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-5-methyl-4-(4-propylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23ClFN5OS MolecularWeight: 447.956623

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CCCN1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C21H23ClFN5OS/c1-3-6-27-7-9-28(10-8-27)19-17-13(2)18(30-21(17)25-12-24-19)20(29)26-14-4-5-16(23)15(22)11-14/h4-5,11-12H,3,6-10H2,1-2H3,(H,26,29)