5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-propan-2-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-propan-2-yl-pyrimidine-2,4-diamine Openeye Name: 6-isopropyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-propan-2-ylpyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-propan-2-ylpyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-isopropyl-pyrimidin-5-yl)phenyl]-(4-mesylbenzyl)amine Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N5O2S/c1-13(2)19-18(20(22)26-21(23)25-19)15-6-8-16(9-7-15)24-12-14-4-10-17(11-5-14)29(3,27)28/h4-11,13,24H,12H2,1-3H3,(H4,22,23,25,26)