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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C16H18N4O3S/c21-15(19-10-12-5-8-24(22,23)11-12)13-3-1-4-14(9-13)20-16-17-6-2-7-18-16/h1-4,6-7,9,12H,5,8,10-11H2,(H,19,21)(H,17,18,20)