N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-methyl-3-(2-pyrimidylamino)benzamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C16H18N4O3S/c1-20(14-6-9-24(22,23)11-14)15(21)12-4-2-5-13(10-12)19-16-17-7-3-8-18-16/h2-5,7-8,10,14H,6,9,11H2,1H3,(H,17,18,19)