ethyl 3-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(1H-benzimidazol-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C22H23N7O5 MolecularWeight: 465.46192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N7O5/c1-2-33-19(30)9-10-28(13-15-6-5-11-34-15)22-20(29(31)32)21(24-14-25-22)23-12-18-26-16-7-3-4-8-17(16)27-18/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,26,27)(H,23,24,25)