(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(1-adamantyl)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(1-adamantyl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C22H27N5O2/c23-20-25-18(26-21(27-20)24-17-4-2-1-3-5-17)13-29-19(28)12-22-9-14-6-15(10-22)8-16(7-14)11-22/h1-5,14-16H,6-13H2,(H3,23,24,25,26,27)