N4-(1-adamantyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(1-adamantyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(1-adamantyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine CAS Name: N4-(1-adamantyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1-adamantyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine Traditional Name: 1-adamantyl-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amine Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H28N4O/c1-13-3-14(2)5-18(4-13)27-21-19(23)20(24-12-25-21)26-22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,12,15-17H,6-11,23H2,1-2H3,(H,24,25,26)