N-[(3,5-dimethylphenyl)methyl]-N'-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)butane-1,4-diamine

Systemtic Name: N-[(3,5-dimethylphenyl)methyl]-N'-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)butane-1,4-diamine Openeye Name: N-[(3,5-dimethylphenyl)methyl]-N'-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)butane-1,4-diamine CAS Name: N-[(3,5-dimethylphenyl)methyl]-N'-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]butane-1,4-diamine IUPAC Name: N-[(3,5-dimethylphenyl)methyl]-N'-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)butane-1,4-diamine Traditional Name: (3,5-dimethylbenzyl)-[4-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]butyl]amine Formula: C21H28N6 MolecularWeight: 364.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNCCCCNC2=NC(=NC(=C2)C)N3C=CN=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNCCCCNC2=NC(=NC(=C2)C)N3C=CN=C3)C

InChI

InChI=1S/C21H28N6/c1-16-10-17(2)12-19(11-16)14-22-6-4-5-7-24-20-13-18(3)25-21(26-20)27-9-8-23-15-27/h8-13,15,22H,4-7,14H2,1-3H3,(H,24,25,26)