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

Systemtic Name: 1-cyclopropyl-7-(2-methylpropyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-cyclopropyl-7-isobutyl-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-cyclopropyl-7-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-cyclopropyl-7-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1-cyclopropyl-7-isobutyl-4-keto-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])C3CC3

Isomeric SMILES

CC(C)CC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])C3CC3

InChI

InChI=1S/C13H16N4O2S/c1-6(2)5-8-14-10-9(12(20)15-8)11(18)16-13(19)17(10)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,14,15,20)(H,16,18,19)/p-1