fluoranyl 3-[[4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]propoxy]phenyl]carbamoyl]benzenesulfinate

Systemtic Name: fluoranyl 3-[[4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]propoxy]phenyl]carbamoyl]benzenesulfinate Openeye Name: fluoro 3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfinate CAS Name: 3-[oxo-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]anilino]methyl]benzenesulfinic acid fluoro ester IUPAC Name: fluoro 3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfinate Traditional Name: 3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfinic acid fluoro ester Formula: C20H21FN6O4S MolecularWeight: 460.481943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)OF)C(=O)NC2=CC=C(C=C2)OCCCC3=C(N=C(N=C3N)N)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)OF)C(=O)NC2=CC=C(C=C2)OCCCC3=C(N=C(N=C3N)N)N

InChI

InChI=1S/C20H21FN6O4S/c21-31-32(29)15-4-1-3-12(11-15)19(28)25-13-6-8-14(9-7-13)30-10-2-5-16-17(22)26-20(24)27-18(16)23/h1,3-4,6-9,11H,2,5,10H2,(H,25,28)(H6,22,23,24,26,27)