N2,N5-bis(2,4,6-trinitrophenyl)pyrimidine-2,5-diamine

Systemtic Name: N2,N5-bis(2,4,6-trinitrophenyl)pyrimidine-2,5-diamine Openeye Name: N2,N5-bis(2,4,6-trinitrophenyl)pyrimidine-2,5-diamine CAS Name: N2,N5-bis(2,4,6-trinitrophenyl)pyrimidine-2,5-diamine IUPAC Name: 2-N,5-N-bis(2,4,6-trinitrophenyl)pyrimidine-2,5-diamine Traditional Name: picryl-[2-(2,4,6-trinitroanilino)pyrimidin-5-yl]amine Formula: C16H8N10O12 MolecularWeight: 532.29452

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=CN=C(N=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=CN=C(N=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H8N10O12/c27-21(28)8-1-10(23(31)32)14(11(2-8)24(33)34)19-7-5-17-16(18-6-7)20-15-12(25(35)36)3-9(22(29)30)4-13(15)26(37)38/h1-6,19H,(H,17,18,20)