1,3-dimethyl-7-[(1R,2S)-2-methylcyclopropyl]-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate

Systemtic Name: 1,3-dimethyl-7-[(1R,2S)-2-methylcyclopropyl]-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 1,3-dimethyl-7-[(1R,2S)-2-methylcyclopropyl]-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 1,3-dimethyl-7-[(1R,2S)-2-methylcyclopropyl]-2-oxo-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,3-dimethyl-7-[(1R,2S)-2-methylcyclopropyl]-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 2-keto-1,3-dimethyl-7-[(1R,2S)-2-methylcyclopropyl]-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C2=NC(=S)C3=C(N(C(=O)N(C3=N2)C)C)[O-]

Isomeric SMILES

C[C@H]1C[C@H]1C2=NC(=S)C3=C(N(C(=O)N(C3=N2)C)C)[O-]

InChI

InChI=1S/C12H14N4O2S/c1-5-4-6(5)8-13-9-7(10(19)14-8)11(17)16(3)12(18)15(9)2/h5-6,17H,4H2,1-3H3/p-1/t5-,6+/m0/s1