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

Systemtic Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-pentyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-pentyl-pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-pentylpyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-pentylpyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-amyl-pyrimidin-5-yl)phenyl]-(4-mesylbenzyl)amine Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N5O2S/c1-3-4-5-6-20-21(22(24)28-23(25)27-20)17-9-11-18(12-10-17)26-15-16-7-13-19(14-8-16)31(2,29)30/h7-14,26H,3-6,15H2,1-2H3,(H4,24,25,27,28)