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

Systemtic Name: 1-[5-(4-ethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: 1-[5-(4-ethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-(4-ethylphenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(4-ethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]isonipecotate Formula: C21H22N3O2S- MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)N4CCC(CC4)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)N4CCC(CC4)C(=O)[O-])C

InChI

InChI=1S/C21H23N3O2S/c1-3-14-4-6-15(7-5-14)17-12-27-20-18(17)19(22-13(2)23-20)24-10-8-16(9-11-24)21(25)26/h4-7,12,16H,3,8-11H2,1-2H3,(H,25,26)/p-1