6-(4-fluorophenyl)-1-methyl-5-(1-methyl-4-oxidanylidene-6-pyrrol-1-yl-2-sulfanylidene-pyrimidin-5-yl)-2-sulfanylidene-7H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 6-(4-fluorophenyl)-1-methyl-5-(1-methyl-4-oxidanylidene-6-pyrrol-1-yl-2-sulfanylidene-pyrimidin-5-yl)-2-sulfanylidene-7H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 6-(4-fluorophenyl)-1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-2-thioxo-7H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 6-(4-fluorophenyl)-1-methyl-5-[1-methyl-4-oxo-6-(1-pyrrolyl)-2-sulfanylidene-5-pyrimidinyl]-2-sulfanylidene-7H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 6-(4-fluorophenyl)-1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-sulfanylidenepyrimidin-5-yl)-2-sulfanylidene-7H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 6-(4-fluorophenyl)-5-(4-keto-1-methyl-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-1-methyl-2-thioxo-7H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C22H17FN6O2S2 MolecularWeight: 480.537783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(N2)C3=CC=C(C=C3)F)C4=C(N(C(=S)NC4=O)C)N5C=CC=C5)C(=O)NC1=S

Isomeric SMILES

CN1C2=C(C(=C(N2)C3=CC=C(C=C3)F)C4=C(N(C(=S)NC4=O)C)N5C=CC=C5)C(=O)NC1=S

InChI

InChI=1S/C22H17FN6O2S2/c1-27-17-14(18(30)25-21(27)32)13(16(24-17)11-5-7-12(23)8-6-11)15-19(31)26-22(33)28(2)20(15)29-9-3-4-10-29/h3-10,24H,1-2H3,(H,25,30,32)(H,26,31,33)