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

Systemtic Name: [4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: (3,5-dinitrophenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: (3,5-dinitrophenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C21H26N6O5 MolecularWeight: 442.46834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(C)C

InChI

InChI=1S/C21H26N6O5/c1-13(2)19-14(3)22-15(4)23-20(19)24-6-5-7-25(9-8-24)21(28)16-10-17(26(29)30)12-18(11-16)27(31)32/h10-13H,5-9H2,1-4H3