5-[[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]azanidylsulfonyl]-6-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 5-[[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]azanidylsulfonyl]-6-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 5-[[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]azanidylsulfonyl]-6-oxo-1H-pyrimidin-2-olate CAS Name: 5-[[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]azanidylsulfonyl]-6-oxo-1H-pyrimidin-2-olate IUPAC Name: 5-[[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]azanidylsulfonyl]-6-oxo-1H-pyrimidin-2-olate Traditional Name: 6-keto-5-[[(5S)-5-methyl-4,5,6,7-tetrahydroanthranil-3-yl]azanidylsulfonyl]-1H-pyrimidin-2-olate Formula: C12H12N4O5S-2 MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NOC(=C2C1)[N-]S(=O)(=O)C3=CN=C(NC3=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=NOC(=C2C1)[N-]S(=O)(=O)C3=CN=C(NC3=O)[O-]

InChI

InChI=1S/C12H14N4O5S/c1-6-2-3-8-7(4-6)11(21-15-8)16-22(19,20)9-5-13-12(18)14-10(9)17/h5-6H,2-4H2,1H3,(H3,13,14,15,16,17,18)/p-2/t6-/m0/s1