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

Systemtic Name: (2S)-1-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylate Formula: C20H20N3O2S- MolecularWeight: 366.4567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCCC4C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[C@H]4C(=O)[O-]

InChI

InChI=1S/C20H21N3O2S/c1-12(2)13-5-7-14(8-6-13)15-10-26-19-17(15)18(21-11-22-19)23-9-3-4-16(23)20(24)25/h5-8,10-12,16H,3-4,9H2,1-2H3,(H,24,25)/p-1/t16-/m0/s1