6-(2,3-dihydro-1-benzofuran-2-yl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(2,3-dihydro-1-benzofuran-2-yl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(2,3-dihydrobenzofuran-2-yl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-(2,3-dihydrobenzofuran-2-yl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(2,3-dihydro-1-benzofuran-2-yl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-coumaran-2-yl-pyrimidin-5-yl)phenyl]-(4-mesylbenzyl)amine Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)C4CC5=CC=CC=C5O4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)C4CC5=CC=CC=C5O4

InChI

InChI=1S/C26H25N5O3S/c1-35(32,33)20-12-6-16(7-13-20)15-29-19-10-8-17(9-11-19)23-24(30-26(28)31-25(23)27)22-14-18-4-2-3-5-21(18)34-22/h2-13,22,29H,14-15H2,1H3,(H4,27,28,30,31)