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

Systemtic Name: 4-(azepan-1-yl)-N-[(3-fluorophenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-[(3-fluorophenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-[(3-fluorophenyl)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-[(3-fluorophenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(3-fluorobenzyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NCC4=CC(=CC=C4)F

InChI

InChI=1S/C21H23FN4OS/c1-14-17-19(26-9-4-2-3-5-10-26)24-13-25-21(17)28-18(14)20(27)23-12-15-7-6-8-16(22)11-15/h6-8,11,13H,2-5,9-10,12H2,1H3,(H,23,27)