4-[(2S)-2-ethylpiperidin-1-yl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(2S)-2-ethylpiperidin-1-yl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[(2S)-2-ethyl-1-piperidyl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[(2S)-2-ethyl-1-piperidinyl]-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[(2S)-2-ethylpiperidin-1-yl]-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[(2S)-2-ethylpiperidino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC[C@H]1CCCCN1C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C21H23N3O2S/c1-3-15-11-7-8-12-24(15)19-16-13(2)17(21(25)26)27-20(16)23-18(22-19)14-9-5-4-6-10-14/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3,(H,25,26)/t15-/m0/s1