3-[2-[(2-ethyl-4-nitro-phenyl)amino]ethylamino]-1-piperazin-1-yl-pyrimidine-2,4-dione

Systemtic Name: 3-[2-[(2-ethyl-4-nitro-phenyl)amino]ethylamino]-1-piperazin-1-yl-pyrimidine-2,4-dione Openeye Name: 3-[2-(2-ethyl-4-nitro-anilino)ethylamino]-1-piperazin-1-yl-pyrimidine-2,4-dione CAS Name: 3-[2-(2-ethyl-4-nitroanilino)ethylamino]-1-(1-piperazinyl)pyrimidine-2,4-dione IUPAC Name: 3-[2-(2-ethyl-4-nitroanilino)ethylamino]-1-piperazin-1-ylpyrimidine-2,4-dione Traditional Name: 3-[2-(2-ethyl-4-nitro-anilino)ethylamino]-1-piperazino-pyrimidine-2,4-quinone Formula: C18H25N7O4 MolecularWeight: 403.4356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)[N+](=O)[O-])NCCNN2C(=O)C=CN(C2=O)N3CCNCC3

Isomeric SMILES

CCC1=C(C=CC(=C1)[N+](=O)[O-])NCCNN2C(=O)C=CN(C2=O)N3CCNCC3

InChI

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