4-[4-(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H26N6O4S2 MolecularWeight: 490.59894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C)C

InChI

InChI=1S/C21H26N6O4S2/c1-5-16-23-13(3)17-12(2)18(32-20(17)24-16)21(29)26-6-8-27(9-7-26)33(30,31)14-10-15(19(22)28)25(4)11-14/h10-11H,5-9H2,1-4H3,(H2,22,28)