N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-oxo-3-thieno[3,2-d]pyrimidinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-ketothieno[3,2-d]pyrimidin-3-yl)acetamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H24N4O4S2/c1-15-6-7-16(12-18(15)31(28,29)25-9-4-2-3-5-10-25)23-19(26)13-24-14-22-17-8-11-30-20(17)21(24)27/h6-8,11-12,14H,2-5,9-10,13H2,1H3,(H,23,26)