1-(3-chloranyl-4-phenethyl-phenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine; ethanesulfonic acid

Systemtic Name: 1-(3-chloranyl-4-phenethyl-phenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine; ethanesulfonic acid Openeye Name: 1-(3-chloro-4-phenethyl-phenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine; ethanesulfonic acid CAS Name: 1-(3-chloro-4-phenethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine; ethanesulfonic acid IUPAC Name: 1-(3-chloro-4-phenethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine; ethanesulfonic acid Traditional Name: [4-amino-1-(3-chloro-4-phenethyl-phenyl)-6,6-dimethyl-s-triazin-2-yl]amine; esylic acid Formula: C21H28ClN5O3S MolecularWeight: 465.99672

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=CC=CC=C3)Cl)N)N)C

Isomeric SMILES

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=CC=CC=C3)Cl)N)N)C

InChI

InChI=1S/C19H22ClN5.C2H6O3S/c1-19(2)24-17(21)23-18(22)25(19)15-11-10-14(16(20)12-15)9-8-13-6-4-3-5-7-13;1-2-6(3,4)5/h3-7,10-12H,8-9H2,1-2H3,(H4,21,22,23,24);2H2,1H3,(H,3,4,5)