1-(ethylamino)-3-[1-[2-nitro-4-(phenylcarbonyl)phenoxy]propylamino]pyrimidine-2,4-dione

Systemtic Name: 1-(ethylamino)-3-[1-[2-nitro-4-(phenylcarbonyl)phenoxy]propylamino]pyrimidine-2,4-dione Openeye Name: 3-[1-(4-benzoyl-2-nitro-phenoxy)propylamino]-1-(ethylamino)pyrimidine-2,4-dione CAS Name: 3-[1-(4-benzoyl-2-nitrophenoxy)propylamino]-1-(ethylamino)pyrimidine-2,4-dione IUPAC Name: 3-[1-(4-benzoyl-2-nitrophenoxy)propylamino]-1-(ethylamino)pyrimidine-2,4-dione Traditional Name: 3-[1-(4-benzoyl-2-nitro-phenoxy)propylamino]-1-(ethylamino)pyrimidine-2,4-quinone Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NN1C(=O)C=CN(C1=O)NCC)OC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(NN1C(=O)C=CN(C1=O)NCC)OC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6/c1-3-19(24-26-20(28)12-13-25(22(26)30)23-4-2)33-18-11-10-16(14-17(18)27(31)32)21(29)15-8-6-5-7-9-15/h5-14,19,23-24H,3-4H2,1-2H3