6-[4-[2-[(2-ethyl-4-nitro-phenyl)amino]ethylamino]piperazin-1-yl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[4-[2-[(2-ethyl-4-nitro-phenyl)amino]ethylamino]piperazin-1-yl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[4-[2-(2-ethyl-4-nitro-anilino)ethylamino]piperazin-1-yl]-1H-pyrimidine-2,4-dione CAS Name: 6-[4-[2-(2-ethyl-4-nitroanilino)ethylamino]-1-piperazinyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[4-[2-(2-ethyl-4-nitroanilino)ethylamino]piperazin-1-yl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[4-[2-(2-ethyl-4-nitro-anilino)ethylamino]piperazino]uracil Formula: C18H25N7O4 MolecularWeight: 403.4356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)[N+](=O)[O-])NCCNN2CCN(CC2)C3=CC(=O)NC(=O)N3

Isomeric SMILES

CCC1=C(C=CC(=C1)[N+](=O)[O-])NCCNN2CCN(CC2)C3=CC(=O)NC(=O)N3

InChI

InChI=1S/C18H25N7O4/c1-2-13-11-14(25(28)29)3-4-15(13)19-5-6-20-24-9-7-23(8-10-24)16-12-17(26)22-18(27)21-16/h3-4,11-12,19-20H,2,5-10H2,1H3,(H2,21,22,26,27)