1-[3-(1-adamantyloxymethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 1-[3-(1-adamantyloxymethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine Openeye Name: 1-[3-(1-adamantyloxymethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine CAS Name: 1-[3-(1-adamantyloxymethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine IUPAC Name: 1-[3-(1-adamantyloxymethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine Traditional Name: [1-[3-(1-adamantyloxymethyl)phenyl]-4-amino-6,6-dimethyl-s-triazin-2-yl]amine Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(N=C(N1C2=CC=CC(=C2)COC34CC5CC(C3)CC(C5)C4)N)N)C

Isomeric SMILES

CC1(N=C(N=C(N1C2=CC=CC(=C2)COC34CC5CC(C3)CC(C5)C4)N)N)C

InChI

InChI=1S/C22H31N5O/c1-21(2)26-19(23)25-20(24)27(21)18-5-3-4-14(9-18)13-28-22-10-15-6-16(11-22)8-17(7-15)12-22/h3-5,9,15-17H,6-8,10-13H2,1-2H3,(H4,23,24,25,26)