N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-[(4-dimethylaminophenyl)methyl]-2-ethylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-[(4-dimethylaminophenyl)methyl]-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxo-3-thiolanyl)-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(1,1-diketothiolan-3-yl)-N-[4-(dimethylamino)benzyl]-2-esyl-pyrimidine-4-carboxamide Formula: C20H25ClN4O5S2 MolecularWeight: 501.0193

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3)Cl

InChI

InChI=1S/C20H25ClN4O5S2/c1-4-32(29,30)20-22-11-17(21)18(23-20)19(26)25(16-9-10-31(27,28)13-16)12-14-5-7-15(8-6-14)24(2)3/h5-8,11,16H,4,9-10,12-13H2,1-3H3