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

Systemtic Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenyl)propyl]-1,4-diazepan-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenyl)propyl]-1,4-diazepan-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenyl)propyl]-1,4-diazepan-1-yl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenyl)propyl]-1,4-diazepan-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenyl)propyl]-1,4-diazepan-1-yl]pyrimidine-2,4-quinone Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCCN(CC2)CCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCCN(CC2)CCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4/c1-21-18(15-19(26)22(2)20(21)27)24-12-4-11-23(13-14-24)10-3-5-16-6-8-17(9-7-16)25(28)29/h6-9,15H,3-5,10-14H2,1-2H3