(3S)-1-(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)nipecotic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)C)N3CCCC(C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C)N3CCC[C@@H](C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c1-12-16(14-7-4-3-5-8-14)17-18(21-13(2)22-19(17)26-12)23-10-6-9-15(11-23)20(24)25/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,24,25)/t15-/m0/s1