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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C23H17N5O5 MolecularWeight: 443.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C23H17N5O5/c29-28(30)21-22(26-15-6-9-18(10-7-15)33-17-4-2-1-3-5-17)24-13-25-23(21)27-16-8-11-19-20(12-16)32-14-31-19/h1-13H,14H2,(H2,24,25,26,27)