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

Systemtic Name: N6-(4-butoxyphenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5/c1-4-5-12-32-16-8-6-15(7-9-16)25-21-20(27(28)29)22(24-14-23-21)26-18-11-10-17(30-2)13-19(18)31-3/h6-11,13-14H,4-5,12H2,1-3H3,(H2,23,24,25,26)