N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C17H16ClN5O5 MolecularWeight: 405.79244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H16ClN5O5/c1-26-13-7-14(27-2)12(6-11(13)18)22-17-15(23(24)25)16(20-9-21-17)19-8-10-4-3-5-28-10/h3-7,9H,8H2,1-2H3,(H2,19,20,21,22)