(3,5-dinitrophenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazino]methanone Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C)C

InChI

InChI=1S/C18H20N6O5/c1-11-12(2)19-13(3)20-17(11)21-4-6-22(7-5-21)18(25)14-8-15(23(26)27)10-16(9-14)24(28)29/h8-10H,4-7H2,1-3H3