1,3-dimethyl-2-oxidanylidene-7-(phenylmethyl)-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate

Systemtic Name: 1,3-dimethyl-2-oxidanylidene-7-(phenylmethyl)-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 7-benzyl-1,3-dimethyl-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 1,3-dimethyl-2-oxo-7-(phenylmethyl)-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 7-benzyl-1,3-dimethyl-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 7-benzyl-2-keto-1,3-dimethyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C15H13N4O2S- MolecularWeight: 313.35432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=NC2=S)CC3=CC=CC=C3)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=NC2=S)CC3=CC=CC=C3)N(C1=O)C)[O-]

InChI

InChI=1S/C15H14N4O2S/c1-18-12-11(14(20)19(2)15(18)21)13(22)17-10(16-12)8-9-6-4-3-5-7-9/h3-7,20H,8H2,1-2H3/p-1