tert-butyl 2-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C19H23N7O4 MolecularWeight: 413.43042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H23N7O4/c1-19(2,3)30-15(27)10-25(4)18-16(26(28)29)17(21-11-22-18)20-9-14-23-12-7-5-6-8-13(12)24-14/h5-8,11H,9-10H2,1-4H3,(H,23,24)(H,20,21,22)