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

Systemtic Name: 1-[5-(4-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: 1-[5-(4-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-(4-methoxyphenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(4-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]isonipecotate Formula: C20H20N3O3S- MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)OC)N4CCC(CC4)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)OC)N4CCC(CC4)C(=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-12-21-18(23-9-7-14(8-10-23)20(24)25)17-16(11-27-19(17)22-12)13-3-5-15(26-2)6-4-13/h3-6,11,14H,7-10H2,1-2H3,(H,24,25)/p-1