1-(2-methoxyethyl)-7-[(1S,2R)-2-methylcyclopropyl]-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1-(2-methoxyethyl)-7-[(1S,2R)-2-methylcyclopropyl]-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-(2-methoxyethyl)-7-[(1S,2R)-2-methylcyclopropyl]-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-(2-methoxyethyl)-7-[(1S,2R)-2-methylcyclopropyl]-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-(2-methoxyethyl)-7-[(1S,2R)-2-methylcyclopropyl]-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-1-(2-methoxyethyl)-7-[(1S,2R)-2-methylcyclopropyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H15N4O3S- MolecularWeight: 307.3482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C2=NC(=S)C3=C(N2)N(C(=NC3=O)[O-])CCOC

Isomeric SMILES

C[C@@H]1C[C@@H]1C2=NC(=S)C3=C(N2)N(C(=NC3=O)[O-])CCOC

InChI

InChI=1S/C13H16N4O3S/c1-6-5-7(6)9-14-10-8(12(21)15-9)11(18)16-13(19)17(10)3-4-20-2/h6-7H,3-5H2,1-2H3,(H,14,15,21)(H,16,18,19)/p-1/t6-,7+/m1/s1