tert-butyl 2-[methyl-[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[[6-(3-isopropoxypropylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[methyl-[5-nitro-6-(3-propan-2-yloxypropylamino)-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(3-isopropoxypropylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C17H29N5O5 MolecularWeight: 383.44266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=C(C(=NC=N1)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC1=C(C(=NC=N1)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H29N5O5/c1-12(2)26-9-7-8-18-15-14(22(24)25)16(20-11-19-15)21(6)10-13(23)27-17(3,4)5/h11-12H,7-10H2,1-6H3,(H,18,19,20)