6-(azepan-1-ylcarbonyl)-3-[(2-fluorophenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-(azepan-1-ylcarbonyl)-3-[(2-fluorophenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-(azepane-1-carbonyl)-3-[(2-fluorophenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-[1-azepanyl(oxo)methyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-(azepane-1-carbonyl)-3-[(2-fluorophenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-(azepane-1-carbonyl)-3-(2-fluorobenzyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H22FN3O2S/c1-14-17-19(28-18(14)21(27)24-10-6-2-3-7-11-24)23-13-25(20(17)26)12-15-8-4-5-9-16(15)22/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3