5-methyl-4-[(2S)-2-methylpiperidin-1-yl]-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-[(2S)-2-methylpiperidin-1-yl]-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-[(2S)-2-methyl-1-piperidyl]-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[(2S)-2-methyl-1-piperidinyl]-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-[(2S)-2-methylpiperidin-1-yl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[(2S)-2-methylpiperidino]-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H20N3O2S- MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCCCN1C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C20H21N3O2S/c1-12-8-6-7-11-23(12)18-15-13(2)16(20(24)25)26-19(15)22-17(21-18)14-9-4-3-5-10-14/h3-5,9-10,12H,6-8,11H2,1-2H3,(H,24,25)/p-1/t12-/m0/s1