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

Systemtic Name: (3S)-1-[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-[5-methyl-6-[2-methylpropoxy(oxo)methyl]-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)nipecotate Formula: C18H22N3O4S- MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-10(2)8-25-18(24)14-11(3)13-15(19-9-20-16(13)26-14)21-6-4-5-12(7-21)17(22)23/h9-10,12H,4-8H2,1-3H3,(H,22,23)/p-1/t12-/m0/s1