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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(2-phenoxyethylamino)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-(2-phenoxyethylamino)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(2-phenoxyethylamino)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(2-phenoxyethylamino)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-(2-phenoxyethylamino)pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCOC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O6/c1-2-31-19(28)10-12-26(15-18-9-6-13-32-18)22-20(27(29)30)21(24-16-25-22)23-11-14-33-17-7-4-3-5-8-17/h3-9,13,16H,2,10-12,14-15H2,1H3,(H,23,24,25)