4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]benzoate

Systemtic Name: 4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]benzoate Openeye Name: 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate CAS Name: 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate IUPAC Name: 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate Traditional Name: 4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)benzoate Formula: C12H14N5O2- MolecularWeight: 260.27186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O2/c1-12(2)16-10(13)15-11(14)17(12)8-5-3-7(4-6-8)9(18)19/h3-6H,1-2H3,(H,18,19)(H4,13,14,15,16)/p-1