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

Systemtic Name: [4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: (3,5-dinitrophenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: (3,5-dinitrophenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]methanone Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H24N6O5/c1-12(2)18-13(3)21-14(4)22-19(18)23-5-7-24(8-6-23)20(27)15-9-16(25(28)29)11-17(10-15)26(30)31/h9-12H,5-8H2,1-4H3