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

Systemtic Name: (3S)-1-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)nipecotate 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)N4CCCC(C4)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[C@@H](C4)C(=O)[O-]

InChI

InChI=1S/C21H23N3O2S/c1-13(2)14-5-7-15(8-6-14)17-11-27-20-18(17)19(22-12-23-20)24-9-3-4-16(10-24)21(25)26/h5-8,11-13,16H,3-4,9-10H2,1-2H3,(H,25,26)/p-1/t16-/m0/s1