(3S)-1-[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-[2-methoxyethoxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[6-(2-methoxyethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[6-(2-methoxyethoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]nipecotate Formula: C17H20N3O5S- MolecularWeight: 378.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-10-12-14(20-5-3-4-11(8-20)16(21)22)18-9-19-15(12)26-13(10)17(23)25-7-6-24-2/h9,11H,3-8H2,1-2H3,(H,21,22)/p-1/t11-/m0/s1