ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C21H24N6O5 MolecularWeight: 440.45246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CN=CC=C3

InChI

InChI=1S/C21H24N6O5/c1-2-31-18(28)8-11-26(14-17-6-4-12-32-17)21-19(27(29)30)20(24-15-25-21)23-10-7-16-5-3-9-22-13-16/h3-6,9,12-13,15H,2,7-8,10-11,14H2,1H3,(H,23,24,25)