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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C3CCC3

Isomeric SMILES

COCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C3CCC3

InChI

InChI=1S/C13H16N4O3S/c1-20-6-5-17-10-8(11(18)16-13(17)19)12(21)15-9(14-10)7-3-2-4-7/h7H,2-6H2,1H3,(H,14,15,21)(H,16,18,19)/p-1