tert-butyl 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C22H29N5O6 MolecularWeight: 459.49556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H29N5O6/c1-22(2,3)33-18(28)12-25(4)20-19(27(29)30)21(24-13-23-20)26-8-7-14-9-16(31-5)17(32-6)10-15(14)11-26/h9-10,13H,7-8,11-12H2,1-6H3