N4-(2,5-dimethoxyphenyl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N2-(2-furylmethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-(2-furfuryl)amine Formula: C17H18N6O5 MolecularWeight: 386.36202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3

InChI

InChI=1S/C17H18N6O5/c1-26-10-5-6-13(27-2)12(8-10)20-16-14(23(24)25)15(18)21-17(22-16)19-9-11-4-3-7-28-11/h3-8H,9H2,1-2H3,(H4,18,19,20,21,22)