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

Systemtic Name: 6,6-dimethyl-1-[3-nitro-4-(3-phenylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6,6-dimethyl-1-[3-nitro-4-(3-phenylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine CAS Name: 6,6-dimethyl-1-[3-nitro-4-(3-phenylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6,6-dimethyl-1-[3-nitro-4-(3-phenylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6,6-dimethyl-1-[3-nitro-4-(3-phenylpropoxy)phenyl]-s-triazin-2-yl]amine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCC3=CC=CC=C3)[N+](=O)[O-])N)N)C

Isomeric SMILES

CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCC3=CC=CC=C3)[N+](=O)[O-])N)N)C

InChI

InChI=1S/C20H24N6O3/c1-20(2)24-18(21)23-19(22)25(20)15-10-11-17(16(13-15)26(27)28)29-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H4,21,22,23,24)