methyl 3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(5-methyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H18N4O4S3 MolecularWeight: 438.54422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=C(SC=C4)C(=O)OC

Isomeric SMILES

CC1=CSC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=C(SC=C4)C(=O)OC

InChI

InChI=1S/C17H18N4O4S3/c1-11-9-27-16-13(11)15(18-10-19-16)20-4-6-21(7-5-20)28(23,24)12-3-8-26-14(12)17(22)25-2/h3,8-10H,4-7H2,1-2H3