tert-butyl 2-[[6-[bis(pyridin-3-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[bis(pyridin-3-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[bis(3-pyridylmethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[bis(3-pyridinylmethyl)amino]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[bis(pyridin-3-ylmethyl)amino]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[bis(3-pyridylmethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C23H27N7O4 MolecularWeight: 465.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)N(CC2=CN=CC=C2)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)N(CC2=CN=CC=C2)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O4/c1-23(2,3)34-19(31)15-28(4)21-20(30(32)33)22(27-16-26-21)29(13-17-7-5-9-24-11-17)14-18-8-6-10-25-12-18/h5-12,16H,13-15H2,1-4H3