1,3-dimethyl-6-[2-[[4-nitro-2-(phenylcarbonyl)phenyl]methylamino]ethylamino]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[2-[[4-nitro-2-(phenylcarbonyl)phenyl]methylamino]ethylamino]pyrimidine-2,4-dione Openeye Name: 6-[2-[(2-benzoyl-4-nitro-phenyl)methylamino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[2-[(2-benzoyl-4-nitrophenyl)methylamino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[2-[(2-benzoyl-4-nitrophenyl)methylamino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[2-[(2-benzoyl-4-nitro-benzyl)amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCNCC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCNCC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O5/c1-25-19(13-20(28)26(2)22(25)30)24-11-10-23-14-16-8-9-17(27(31)32)12-18(16)21(29)15-6-4-3-5-7-15/h3-9,12-13,23-24H,10-11,14H2,1-2H3