N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-piperonyl-amine Formula: C24H19N5O5 MolecularWeight: 457.43816

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H19N5O5/c30-29(31)22-23(25-13-16-6-11-20-21(12-16)33-15-32-20)26-14-27-24(22)28-17-7-9-19(10-8-17)34-18-4-2-1-3-5-18/h1-12,14H,13,15H2,(H2,25,26,27,28)