N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1,1-dioxo-thian-4-amine CAS Name: N-[(4,6-dimethoxy-5-pyrimidinyl)methyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1,1-dioxothian-4-amine Traditional Name: (1,1-diketothian-4-yl)-[(4,6-dimethoxypyrimidin-5-yl)methyl]amine Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=N1)OC)CNC2CCS(=O)(=O)CC2

Isomeric SMILES

COC1=C(C(=NC=N1)OC)CNC2CCS(=O)(=O)CC2

InChI

InChI=1S/C12H19N3O4S/c1-18-11-10(12(19-2)15-8-14-11)7-13-9-3-5-20(16,17)6-4-9/h8-9,13H,3-7H2,1-2H3