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

Systemtic Name: (3S)-1-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-methyl-6-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=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CCC[C@@H](C4)C(=O)O

InChI

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