4-(azepan-1-ylsulfonyl)-N-thieno[2,3-d]pyrimidin-4-yl-benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-thieno[2,3-d]pyrimidin-4-yl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-thieno[2,3-d]pyrimidin-4-yl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-thieno[2,3-d]pyrimidinyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-thieno[2,3-d]pyrimidin-4-yl-benzamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C19H20N4O3S2/c24-18(22-17-16-9-12-27-19(16)21-13-20-17)14-5-7-15(8-6-14)28(25,26)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11H2,(H,20,21,22,24)