7-hexyl-3-methyl-2-oxidanylidene-1-propyl-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate

Systemtic Name: 7-hexyl-3-methyl-2-oxidanylidene-1-propyl-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 7-hexyl-3-methyl-2-oxo-1-propyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 7-hexyl-3-methyl-2-oxo-1-propyl-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 7-hexyl-3-methyl-2-oxo-1-propyl-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 7-hexyl-2-keto-3-methyl-1-propyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C16H23N4O2S- MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=S)C2=C(N(C(=O)N(C2=N1)CCC)C)[O-]

Isomeric SMILES

CCCCCCC1=NC(=S)C2=C(N(C(=O)N(C2=N1)CCC)C)[O-]

InChI

InChI=1S/C16H24N4O2S/c1-4-6-7-8-9-11-17-13-12(14(23)18-11)15(21)19(3)16(22)20(13)10-5-2/h21H,4-10H2,1-3H3/p-1