1,3-dimethyl-6-[2-[4-(4-nitrophenyl)butyl-(3-oxidanylpropyl)amino]ethylamino]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[2-[4-(4-nitrophenyl)butyl-(3-oxidanylpropyl)amino]ethylamino]pyrimidine-2,4-dione Openeye Name: 6-[2-[3-hydroxypropyl-[4-(4-nitrophenyl)butyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[2-[3-hydroxypropyl-[4-(4-nitrophenyl)butyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[2-[3-hydroxypropyl-[4-(4-nitrophenyl)butyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[2-[3-hydroxypropyl-[4-(4-nitrophenyl)butyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCCC2=CC=C(C=C2)[N+](=O)[O-])CCCO

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCCC2=CC=C(C=C2)[N+](=O)[O-])CCCO

InChI

InChI=1S/C21H31N5O5/c1-23-19(16-20(28)24(2)21(23)29)22-11-14-25(13-5-15-27)12-4-3-6-17-7-9-18(10-8-17)26(30)31/h7-10,16,22,27H,3-6,11-15H2,1-2H3