tert-butyl 2-[[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(indan-2-ylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(indan-2-ylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2CC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2CC3=CC=CC=C3C2

InChI

InChI=1S/C20H25N5O4/c1-20(2,3)29-16(26)11-24(4)19-17(25(27)28)18(21-12-22-19)23-15-9-13-7-5-6-8-14(13)10-15/h5-8,12,15H,9-11H2,1-4H3,(H,21,22,23)