6-methyl-2-[2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H17N4O2S2- MolecularWeight: 349.45108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=NC3=C(S2)CCCC3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=NC3=C(S2)CCCC3)[O-]

InChI

InChI=1S/C15H18N4O2S2/c1-9-6-12(20)19-15(17-9)22-8-13(21)16-7-14-18-10-4-2-3-5-11(10)23-14/h6H,2-5,7-8H2,1H3,(H,16,21)(H,17,19,20)/p-1