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

Systemtic Name: 3-azanyl-5-methyl-4-oxidanylidene-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-amino-5-methyl-4-oxo-2-[4-[4-(2-quinolyl)piperazin-1-yl]butyl]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-amino-5-methyl-4-oxo-2-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-amino-5-methyl-4-oxo-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-amino-4-keto-5-methyl-2-[4-[4-(2-quinolyl)piperazino]butyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)N)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)N)C(=O)O

InChI

InChI=1S/C25H28N6O3S/c1-16-21-23(35-22(16)25(33)34)28-20(31(26)24(21)32)8-4-5-11-29-12-14-30(15-13-29)19-10-9-17-6-2-3-7-18(17)27-19/h2-3,6-7,9-10H,4-5,8,11-15,26H2,1H3,(H,33,34)