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

Systemtic Name: (3S)-1-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)nipecotic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-12-15(13-6-3-2-4-7-13)16-17(20-11-21-18(16)25-12)22-9-5-8-14(10-22)19(23)24/h2-4,6-7,11,14H,5,8-10H2,1H3,(H,23,24)/t14-/m0/s1