N2,N4-bis(3,4-dimethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(3,4-dimethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(3,4-dimethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(3,4-dimethoxyphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(3,4-dimethoxyphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(3,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(3,4-dimethoxyphenyl)amine Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O6/c1-28-15-7-5-12(9-17(15)30-3)22-19-14(25(26)27)11-21-20(24-19)23-13-6-8-16(29-2)18(10-13)31-4/h5-11H,1-4H3,(H2,21,22,23,24)