4-(azepan-1-yl)-N-(3-fluorophenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(azepan-1-yl)-N-(3-fluorophenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-(3-fluorophenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-(3-fluorophenyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-(3-fluorophenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(3-fluorophenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C20H21FN4OS/c1-13-16-18(25-9-4-2-3-5-10-25)22-12-23-20(16)27-17(13)19(26)24-15-8-6-7-14(21)11-15/h6-8,11-12H,2-5,9-10H2,1H3,(H,24,26)