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

Systemtic Name: N2,N4-bis(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2,N4-bis(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2,N4-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N,4-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-(2,5-dimethoxyphenyl)amine Formula: C20H22N6O6 MolecularWeight: 442.42528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H22N6O6/c1-29-11-5-7-15(31-3)13(9-11)22-19-17(26(27)28)18(21)24-20(25-19)23-14-10-12(30-2)6-8-16(14)32-4/h5-10H,1-4H3,(H4,21,22,23,24,25)