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

Systemtic Name: 7-[3-(dimethylsulfamoyl)phenyl]-3-ethyl-2-oxidanylidene-1-(phenylmethyl)-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 1-benzyl-7-[3-(dimethylsulfamoyl)phenyl]-3-ethyl-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 7-[3-(dimethylsulfamoyl)phenyl]-3-ethyl-2-oxo-1-(phenylmethyl)-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1-benzyl-7-[3-(dimethylsulfamoyl)phenyl]-3-ethyl-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 1-benzyl-7-[3-(dimethylsulfamoyl)phenyl]-3-ethyl-2-keto-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C23H22N5O4S2- MolecularWeight: 496.58188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C(=NC(=NC2=S)C3=CC(=CC=C3)S(=O)(=O)N(C)C)N(C1=O)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CCN1C(=C2C(=NC(=NC2=S)C3=CC(=CC=C3)S(=O)(=O)N(C)C)N(C1=O)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C23H23N5O4S2/c1-4-27-22(29)18-20(28(23(27)30)14-15-9-6-5-7-10-15)24-19(25-21(18)33)16-11-8-12-17(13-16)34(31,32)26(2)3/h5-13,29H,4,14H2,1-3H3/p-1