N6,N6,1-triisocyanato-2H-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N6,N6,1-triisocyanato-2H-1,3,5-triazine-2,4,6-triamine Openeye Name: N6,N6,1-triisocyanato-2H-1,3,5-triazine-2,4,6-triamine CAS Name: N6,N6,1-triisocyanato-2H-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N,6-N,1-triisocyanato-2H-1,3,5-triazine-2,4,6-triamine Traditional Name: (2,6-diamino-3-isocyanato-2H-s-triazin-4-yl)-diisocyanato-amine Formula: C6H5N9O3 MolecularWeight: 251.1624

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Descriptors Computed from Structure

Canonical SMILES:

C(=NN1C(N=C(N=C1N(N=C=O)N=C=O)N)N)=O

Isomeric SMILES

C(=NN1C(N=C(N=C1N(N=C=O)N=C=O)N)N)=O

InChI

InChI=1S/C6H5N9O3/c7-4-12-5(8)14(9-1-16)6(13-4)15(10-2-17)11-3-18/h5H,8H2,(H2,7,12)