ethyl 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-(indan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[2-furfuryl-[6-(indan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NC3CC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NC3CC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N5O5/c1-2-32-20(29)9-10-27(14-19-8-5-11-33-19)23-21(28(30)31)22(24-15-25-23)26-18-12-16-6-3-4-7-17(16)13-18/h3-8,11,15,18H,2,9-10,12-14H2,1H3,(H,24,25,26)