6-[3-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]ethyl]-5-phenyl-imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-[3-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]ethyl]-5-phenyl-imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-[3-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]-5-phenyl-imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-[3-[2-[(1,1-dioxo-3-thiolanyl)amino]ethyl]-5-phenyl-4-imidazolyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-[3-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: 2-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenyl-imidazol-1-yl]ethyl-(1,1-diketothiolan-3-yl)amine Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NCCN2C=NC(=C2C3=CC4=C(N=CN=C4S3)N)C5=CC=CC=C5

Isomeric SMILES

C1CS(=O)(=O)CC1NCCN2C=NC(=C2C3=CC4=C(N=CN=C4S3)N)C5=CC=CC=C5

InChI

InChI=1S/C21H22N6O2S2/c22-20-16-10-17(30-21(16)25-12-24-20)19-18(14-4-2-1-3-5-14)26-13-27(19)8-7-23-15-6-9-31(28,29)11-15/h1-5,10,12-13,15,23H,6-9,11H2,(H2,22,24,25)