1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-pyrrolidin-1-ylcarbothioylphenyl)sulfonyl-urea

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-pyrrolidin-1-ylcarbothioylphenyl)sulfonyl-urea Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(pyrrolidine-1-carbothioyl)phenyl]sulfonyl-urea CAS Name: 1-(4,6-dimethoxy-2-pyrimidinyl)-3-[2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl]sulfonylurea IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(pyrrolidine-1-carbothioyl)phenyl]sulfonylurea Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(pyrrolidine-1-carbothioyl)phenyl]sulfonyl-urea Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=S)N3CCCC3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=S)N3CCCC3)OC

InChI

InChI=1S/C18H21N5O5S2/c1-27-14-11-15(28-2)20-17(19-14)21-18(24)22-30(25,26)13-8-4-3-7-12(13)16(29)23-9-5-6-10-23/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,19,20,21,22,24)