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

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

CC1CCCN(C1)C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)[O-])C

InChI

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