N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C)C

InChI

InChI=1S/C23H28N4O3S2/c1-4-19-24-16(3)20-15(2)21(31-23(20)26-19)22(28)25-17-10-9-11-18(14-17)32(29,30)27-12-7-5-6-8-13-27/h9-11,14H,4-8,12-13H2,1-3H3,(H,25,28)