tert-butyl 2-[[6-[(3-chloranyl-4-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[(3-chloranyl-4-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[(3-chloro-4-fluoro-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[(3-chloro-4-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[(3-chloro-4-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[(3-chloro-4-fluoro-benzyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C18H21ClFN5O4 MolecularWeight: 425.841843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H21ClFN5O4/c1-18(2,3)29-14(26)9-24(4)17-15(25(27)28)16(22-10-23-17)21-8-11-5-6-13(20)12(19)7-11/h5-7,10H,8-9H2,1-4H3,(H,21,22,23)