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

Systemtic Name: 1-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: 1-[2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[2-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]isonipecotate Formula: C20H20N3O2S- MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)N4CCC(CC4)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)N4CCC(CC4)C(=O)[O-])C

InChI

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