ethyl 3-[furan-2-ylmethyl-[6-[2-methoxy-4-(3-oxidanylidenebutyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-[2-methoxy-4-(3-oxidanylidenebutyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[2-methoxy-4-(3-oxobutyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[2-methoxy-4-(3-oxobutyl)phenoxy]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[2-methoxy-4-(3-oxobutyl)phenoxy]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[4-(3-ketobutyl)-2-methoxy-phenoxy]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C25H28N4O8 MolecularWeight: 512.51182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)CCC(=O)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)CCC(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O8/c1-4-35-22(31)11-12-28(15-19-6-5-13-36-19)24-23(29(32)33)25(27-16-26-24)37-20-10-9-18(8-7-17(2)30)14-21(20)34-3/h5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-3H3