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

Systemtic Name: 1-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: 1-[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)isonipecotate Formula: C21H22N3O2S- MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-13(2)14-3-5-15(6-4-14)17-11-27-20-18(17)19(22-12-23-20)24-9-7-16(8-10-24)21(25)26/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,26)/p-1