2-ethyl-4,5-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-ethyl-4,5-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-ethyl-4,5-dimethyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-ethyl-4,5-dimethyl-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-ethyl-4,5-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-ethyl-4,5-dimethyl-N-(4-piperidinosulfonylbenzyl)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)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C)C

InChI

InChI=1S/C23H28N4O3S2/c1-4-19-25-16(3)20-15(2)21(31-23(20)26-19)22(28)24-14-17-8-10-18(11-9-17)32(29,30)27-12-6-5-7-13-27/h8-11H,4-7,12-14H2,1-3H3,(H,24,28)