[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-chloranyladamantane-1-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H26ClN5O2 MolecularWeight: 427.92714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H26ClN5O2/c1-13-2-4-16(5-3-13)25-20-27-17(26-19(24)28-20)11-30-18(29)21-7-14-6-15(8-21)10-22(23,9-14)12-21/h2-5,14-15H,6-12H2,1H3,(H3,24,25,26,27,28)