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

Systemtic Name: 7-(2-methylpropyl)-4-oxidanylidene-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-isobutyl-4-oxo-1-propyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-(2-methylpropyl)-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-(2-methylpropyl)-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-isobutyl-4-keto-1-propyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H17N4O2S- MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CC(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CC(C)C

InChI

InChI=1S/C13H18N4O2S/c1-4-5-17-10-9(11(18)16-13(17)19)12(20)15-8(14-10)6-7(2)3/h7H,4-6H2,1-3H3,(H,14,15,20)(H,16,18,19)/p-1