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

Systemtic Name: 3-methyl-2-oxidanylidene-7-phenyl-1-(phenylmethyl)-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 1-benzyl-3-methyl-2-oxo-7-phenyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 3-methyl-2-oxo-7-phenyl-1-(phenylmethyl)-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1-benzyl-3-methyl-2-oxo-7-phenyl-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 1-benzyl-2-keto-3-methyl-7-phenyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C20H15N4O2S- MolecularWeight: 375.4237

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=NC2=S)C3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=NC2=S)C3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H16N4O2S/c1-23-19(25)15-17(24(20(23)26)12-13-8-4-2-5-9-13)21-16(22-18(15)27)14-10-6-3-7-11-14/h2-11,25H,12H2,1H3/p-1