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

Systemtic Name: tert-butyl 2-[methyl-[6-[methyl(phenethyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[6-[methyl(phenethyl)amino]-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[6-[methyl(phenethyl)amino]-5-nitro-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[6-[methyl(phenethyl)amino]-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[6-[methyl(phenethyl)amino]-5-nitro-pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)N(C)CCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)N(C)CCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4/c1-20(2,3)29-16(26)13-24(5)19-17(25(27)28)18(21-14-22-19)23(4)12-11-15-9-7-6-8-10-15/h6-10,14H,11-13H2,1-5H3