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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-(4-pyridylmethylamino)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(pyridin-4-ylmethylamino)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-(4-pyridylmethylamino)pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=NC=C3

InChI

InChI=1S/C20H22N6O5/c1-2-30-17(27)7-10-25(13-16-4-3-11-31-16)20-18(26(28)29)19(23-14-24-20)22-12-15-5-8-21-9-6-15/h3-6,8-9,11,14H,2,7,10,12-13H2,1H3,(H,22,23,24)