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

Systemtic Name: (3S)-1-(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(6-methoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(6-carbomethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)nipecotic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCC(C3)C(=O)O)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC[C@@H](C3)C(=O)O)C)C(=O)OC

InChI

InChI=1S/C16H19N3O4S/c1-8-11-13(19-6-4-5-10(7-19)15(20)21)17-9(2)18-14(11)24-12(8)16(22)23-3/h10H,4-7H2,1-3H3,(H,20,21)/t10-/m0/s1