2,4,6-trinitro-N1,N3,N5-tri(pyrimidin-2-yl)benzene-1,3,5-triamine

Systemtic Name: 2,4,6-trinitro-N1,N3,N5-tri(pyrimidin-2-yl)benzene-1,3,5-triamine Openeye Name: 2,4,6-trinitro-N1,N3,N5-tri(pyrimidin-2-yl)benzene-1,3,5-triamine CAS Name: 2,4,6-trinitro-N1,N3,N5-tris(2-pyrimidinyl)benzene-1,3,5-triamine IUPAC Name: 2,4,6-trinitro-1-N,3-N,5-N-tri(pyrimidin-2-yl)benzene-1,3,5-triamine Traditional Name: 2-pyrimidyl-[2,4,6-trinitro-3,5-bis(2-pyrimidylamino)phenyl]amine Formula: C18H12N12O6 MolecularWeight: 492.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC2=C(C(=C(C(=C2[N+](=O)[O-])NC3=NC=CC=N3)[N+](=O)[O-])NC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)NC2=C(C(=C(C(=C2[N+](=O)[O-])NC3=NC=CC=N3)[N+](=O)[O-])NC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N12O6/c31-28(32)13-10(25-16-19-4-1-5-20-16)14(29(33)34)12(27-18-23-8-3-9-24-18)15(30(35)36)11(13)26-17-21-6-2-7-22-17/h1-9H,(H,19,20,25)(H,21,22,26)(H,23,24,27)