N2,N4,N7-tris[(4-methylphenyl)methyl]-6-methylsulfonyl-pteridine-2,4,7-triamine

Systemtic Name: N2,N4,N7-tris[(4-methylphenyl)methyl]-6-methylsulfonyl-pteridine-2,4,7-triamine Openeye Name: 6-methylsulfonyl-N2,N4,N7-tris(p-tolylmethyl)pteridine-2,4,7-triamine CAS Name: N2,N4,N7-tris[(4-methylphenyl)methyl]-6-methylsulfonylpteridine-2,4,7-triamine IUPAC Name: 2-N,4-N,7-N-tris[(4-methylphenyl)methyl]-6-methylsulfonylpteridine-2,4,7-triamine Traditional Name: [6-mesyl-2,4-bis[(4-methylbenzyl)amino]pteridin-7-yl]-(4-methylbenzyl)amine Formula: C31H33N7O2S MolecularWeight: 567.70442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=C(C=C4)C)S(=O)(=O)C)NCC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=C(C=C4)C)S(=O)(=O)C)NCC5=CC=C(C=C5)C

InChI

InChI=1S/C31H33N7O2S/c1-20-5-11-23(12-6-20)17-32-27-26-28(38-31(37-27)34-19-25-15-9-22(3)10-16-25)36-29(30(35-26)41(4,39)40)33-18-24-13-7-21(2)8-14-24/h5-16H,17-19H2,1-4H3,(H3,32,33,34,36,37,38)