5-[[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-bis(2,5-dimethyl-1-pyrrolyl)-4-methylphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methylphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-bis(2,5-dimethylpyrrol-1-yl)-4-methyl-benzyl]pyrimidin-4-yl]amine Formula: C24H28N6 MolecularWeight: 400.51932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=CC(=C2C)N3C(=CC=C3C)C)CC4=CN=C(N=C4N)N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=CC(=C2C)N3C(=CC=C3C)C)CC4=CN=C(N=C4N)N)C

InChI

InChI=1S/C24H28N6/c1-14-6-7-15(2)29(14)21-11-19(10-20-13-27-24(26)28-23(20)25)12-22(18(21)5)30-16(3)8-9-17(30)4/h6-9,11-13H,10H2,1-5H3,(H4,25,26,27,28)