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

Systemtic Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-octyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-octyl-pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-octylpyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-octylpyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-octyl-pyrimidin-5-yl)phenyl]-(4-mesylbenzyl)amine Formula: C26H35N5O2S MolecularWeight: 481.6534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C26H35N5O2S/c1-3-4-5-6-7-8-9-23-24(25(27)31-26(28)30-23)20-12-14-21(15-13-20)29-18-19-10-16-22(17-11-19)34(2,32)33/h10-17,29H,3-9,18H2,1-2H3,(H4,27,28,30,31)