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

Systemtic Name: 1-(2-methoxyethyl)-7-(2-methylpropyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-isobutyl-1-(2-methoxyethyl)-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-(2-methoxyethyl)-7-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-(2-methoxyethyl)-7-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-isobutyl-4-keto-1-(2-methoxyethyl)-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H17N4O3S- MolecularWeight: 309.36408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])CCOC

Isomeric SMILES

CC(C)CC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])CCOC

InChI

InChI=1S/C13H18N4O3S/c1-7(2)6-8-14-10-9(12(21)15-8)11(18)16-13(19)17(10)4-5-20-3/h7H,4-6H2,1-3H3,(H,14,15,21)(H,16,18,19)/p-1