N2-(1-adamantyl)-N6-butyl-N4-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-(1-adamantyl)-N6-butyl-N4-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-(1-adamantyl)-N6-butyl-N4-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine CAS Name: N2-(1-adamantyl)-N6-butyl-N4-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-(1-adamantyl)-6-N-butyl-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine Traditional Name: 1-adamantyl-[4-(butylamino)-6-(p-anisylamino)-s-triazin-2-yl]amine Formula: C25H36N6O MolecularWeight: 436.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)NCC2=CC=C(C=C2)OC)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)NCC2=CC=C(C=C2)OC)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N6O/c1-3-4-9-26-22-28-23(27-16-17-5-7-21(32-2)8-6-17)30-24(29-22)31-25-13-18-10-19(14-25)12-20(11-18)15-25/h5-8,18-20H,3-4,9-16H2,1-2H3,(H3,26,27,28,29,30,31)