4-[(3S)-3-carboxylatopiperidin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-[(3S)-3-carboxylatopiperidin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-[(3S)-3-carboxylato-1-piperidyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3S)-3-carboxylato-1-piperidinyl]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-[(3S)-3-carboxylatopiperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3S)-3-carboxylatopiperidino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H15N3O4S-2 MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCC(C3)C(=O)[O-])C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-7-10-12(18-5-3-4-9(6-18)14(19)20)16-8(2)17-13(10)23-11(7)15(21)22/h9H,3-6H2,1-2H3,(H,19,20)(H,21,22)/p-2/t9-/m0/s1