1,3-dimethyl-6-[4-(2-nitrophenyl)-1,4-diazepan-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-(2-nitrophenyl)-1,4-diazepan-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-(2-nitrophenyl)-1,4-diazepan-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-(2-nitrophenyl)-1,4-diazepan-1-yl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-(2-nitrophenyl)-1,4-diazepan-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-(2-nitrophenyl)-1,4-diazepan-1-yl]pyrimidine-2,4-quinone Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-18-15(12-16(23)19(2)17(18)24)21-9-5-8-20(10-11-21)13-6-3-4-7-14(13)22(25)26/h3-4,6-7,12H,5,8-11H2,1-2H3