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

Systemtic Name: 7-[(1S,2R)-2-methylcyclopropyl]-1-(2-methylpropyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-isobutyl-7-[(1S,2R)-2-methylcyclopropyl]-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-[(1S,2R)-2-methylcyclopropyl]-1-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-[(1S,2R)-2-methylcyclopropyl]-1-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1-isobutyl-4-keto-7-[(1S,2R)-2-methylcyclopropyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C14H17N4O2S- MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-6(2)5-18-11-9(12(19)17-14(18)20)13(21)16-10(15-11)8-4-7(8)3/h6-8H,4-5H2,1-3H3,(H,15,16,21)(H,17,19,20)/p-1/t7-,8+/m1/s1