1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-N-[(4-sulfamoylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-sulfamoylbenzyl)isonipecotamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C21H25N5O3S2/c1-13-14(2)30-21-18(13)19(24-12-25-21)26-9-7-16(8-10-26)20(27)23-11-15-3-5-17(6-4-15)31(22,28)29/h3-6,12,16H,7-11H2,1-2H3,(H,23,27)(H2,22,28,29)