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

Systemtic Name: 1,3-dimethyl-6-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-[2-(4-nitrophenyl)ethyl]-1,4-diazepan-1-yl]pyrimidine-2,4-quinone Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCCN(CC2)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCCN(CC2)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4/c1-20-17(14-18(25)21(2)19(20)26)23-10-3-9-22(12-13-23)11-8-15-4-6-16(7-5-15)24(27)28/h4-7,14H,3,8-13H2,1-2H3