5-methyl-4-oxidanylidene-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-2-[3-[4-(2-quinolyl)piperazino]propylthio]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C24H25N5O3S2 MolecularWeight: 495.617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C24H25N5O3S2/c1-15-19-21(30)26-24(27-22(19)34-20(15)23(31)32)33-14-4-9-28-10-12-29(13-11-28)18-8-7-16-5-2-3-6-17(16)25-18/h2-3,5-8H,4,9-14H2,1H3,(H,31,32)(H,26,27,30)