ethyl 3-[furan-2-ylmethyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C20H25N7O5 MolecularWeight: 443.4564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C20H25N7O5/c1-2-31-17(28)6-10-26(13-16-5-3-12-32-16)20-18(27(29)30)19(23-14-24-20)22-7-4-9-25-11-8-21-15-25/h3,5,8,11-12,14-15H,2,4,6-7,9-10,13H2,1H3,(H,22,23,24)