N4,N6-bis(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-])OC

InChI

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