6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione hydrochloride

Systemtic Name: 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione hydrochloride Openeye Name: 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione hydrochloride CAS Name: 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-5-nitropyrimidine-2,4-dione hydrochloride IUPAC Name: 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-5-nitropyrimidine-2,4-dione hydrochloride Traditional Name: 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-5-nitro-pyrimidine-2,4-quinone hydrochloride Formula: C19H27ClN6O7 MolecularWeight: 486.90668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.Cl

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.Cl

InChI

InChI=1S/C19H26N6O7.ClH/c1-21-17(16(25(31)32)18(27)22(2)19(21)28)20-9-11-23(12-13-26)10-3-4-14-5-7-15(8-6-14)24(29)30;/h5-8,20,26H,3-4,9-13H2,1-2H3;1H