N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-5-phenyl-2-(2-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [(3S)-1,1-diketothiolan-3-yl]-methyl-[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H20N4O2S2 MolecularWeight: 436.5498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O2S2/c1-26(16-10-12-30(27,28)14-16)21-19-17(15-7-3-2-4-8-15)13-29-22(19)25-20(24-21)18-9-5-6-11-23-18/h2-9,11,13,16H,10,12,14H2,1H3/t16-/m0/s1