6-azanyl-1-butyl-5-[methyl-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]amino]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5-[methyl-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]amino]pyrimidine-2,4-dione Openeye Name: 6-amino-1-butyl-5-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-amino]pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-butyl-5-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-butyl-5-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-amino]pyrimidine-2,4-quinone Formula: C18H25N5O6 MolecularWeight: 407.421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)N

InChI

InChI=1S/C18H25N5O6/c1-3-4-8-22-16(19)15(17(25)20-18(22)26)21(2)10-13(24)11-29-14-7-5-6-12(9-14)23(27)28/h5-7,9,13,24H,3-4,8,10-11,19H2,1-2H3,(H,20,25,26)